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/U5-1f6fd7bd/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U5-1f6fd7bd/inputs/seq.fa: 1
curr_seq: _AUACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA
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 117 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: 590
n_atoms_counter: 590
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 117.000000 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/U5-1f6fd7bd/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U5-1f6fd7bd/inputs/seq.fa: 1
curr_seq: _AUACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA
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 117 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: 590
n_atoms_counter: 590
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 117.000000 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/U5-1f6fd7bd/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U5-1f6fd7bd/inputs/seq.fa: 1
curr_seq: _AUACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA
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 117 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: 590
n_atoms_counter: 590
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 117.000000 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/U5-1f6fd7bd/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U5-1f6fd7bd/inputs/seq.fa: 1
curr_seq: _AUACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA
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 117 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: 590
n_atoms_counter: 590
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 117.000000 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/U5-1f6fd7bd/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U5-1f6fd7bd/inputs/seq.fa: 1
curr_seq: _AUACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA
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 117 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: 590
n_atoms_counter: 590
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 117.000000 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/U5-1f6fd7bd/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U5-1f6fd7bd/inputs/seq.fa: 1
curr_seq: _AUACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA
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 117 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: 590
n_atoms_counter: 590
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 117.000000 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/U5-1f6fd7bd/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U5-1f6fd7bd/inputs/seq.fa: 1
curr_seq: _AUACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA
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 117 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: 590
n_atoms_counter: 590
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 117.000000 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/U5-1f6fd7bd/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U5-1f6fd7bd/inputs/seq.fa: 1
curr_seq: _AUACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA
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 117 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: 590
n_atoms_counter: 590
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 117.000000 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/U5-1f6fd7bd/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U5-1f6fd7bd/inputs/seq.fa: 1
curr_seq: _AUACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA
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 117 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: 590
n_atoms_counter: 590
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 117.000000 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/U5-1f6fd7bd/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U5-1f6fd7bd/inputs/seq.fa: 1
curr_seq: _AUACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA
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 117 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: 590
n_atoms_counter: 590
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 117.000000 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: -460.565412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.565412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.565412 (E_RNA)
where:
Base-Base interactions energy: -4.989
where: short stacking energy: -4.989
Base-Backbone interact. energy: -0.000
local terms energy: -455.576647
where:
bonds (distance) C4'-P energy: -113.675
bonds (distance) P-C4' energy: -105.569
flat angles C4'-P-C4' energy: -85.904
flat angles P-C4'-P energy: -98.265
tors. eta vs tors. theta energy: -52.163
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: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -460.565412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.565412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.565412 (E_RNA)
where:
Base-Base interactions energy: -4.989
where: short stacking energy: -4.989
Base-Backbone interact. energy: -0.000
local terms energy: -455.576647
where:
bonds (distance) C4'-P energy: -113.675
bonds (distance) P-C4' energy: -105.569
flat angles C4'-P-C4' energy: -85.904
flat angles P-C4'-P energy: -98.265
tors. eta vs tors. theta energy: -52.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -460.565412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.565412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.565412 (E_RNA)
where:
Base-Base interactions energy: -4.989
where: short stacking energy: -4.989
Base-Backbone interact. energy: -0.000
local terms energy: -455.576647
where:
bonds (distance) C4'-P energy: -113.675
bonds (distance) P-C4' energy: -105.569
flat angles C4'-P-C4' energy: -85.904
flat angles P-C4'-P energy: -98.265
tors. eta vs tors. theta energy: -52.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -460.565412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.565412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.565412 (E_RNA)
where:
Base-Base interactions energy: -4.989
where: short stacking energy: -4.989
Base-Backbone interact. energy: -0.000
local terms energy: -455.576647
where:
bonds (distance) C4'-P energy: -113.675
bonds (distance) P-C4' energy: -105.569
flat angles C4'-P-C4' energy: -85.904
flat angles P-C4'-P energy: -98.265
tors. eta vs tors. theta energy: -52.163
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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -460.565412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.565412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.565412 (E_RNA)
where:
Base-Base interactions energy: -4.989
where: short stacking energy: -4.989
Base-Backbone interact. energy: -0.000
local terms energy: -455.576647
where:
bonds (distance) C4'-P energy: -113.675
bonds (distance) P-C4' energy: -105.569
flat angles C4'-P-C4' energy: -85.904
flat angles P-C4'-P energy: -98.265
tors. eta vs tors. theta energy: -52.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -460.565412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.565412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.565412 (E_RNA)
where:
Base-Base interactions energy: -4.989
where: short stacking energy: -4.989
Base-Backbone interact. energy: -0.000
local terms energy: -455.576647
where:
bonds (distance) C4'-P energy: -113.675
bonds (distance) P-C4' energy: -105.569
flat angles C4'-P-C4' energy: -85.904
flat angles P-C4'-P energy: -98.265
tors. eta vs tors. theta energy: -52.163
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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -460.565412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.565412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.565412 (E_RNA)
where:
Base-Base interactions energy: -4.989
where: short stacking energy: -4.989
Base-Backbone interact. energy: -0.000
local terms energy: -455.576647
where:
bonds (distance) C4'-P energy: -113.675
bonds (distance) P-C4' energy: -105.569
flat angles C4'-P-C4' energy: -85.904
flat angles P-C4'-P energy: -98.265
tors. eta vs tors. theta energy: -52.163
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: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -460.565412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.565412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.565412 (E_RNA)
where:
Base-Base interactions energy: -4.989
where: short stacking energy: -4.989
Base-Backbone interact. energy: -0.000
local terms energy: -455.576647
where:
bonds (distance) C4'-P energy: -113.675
bonds (distance) P-C4' energy: -105.569
flat angles C4'-P-C4' energy: -85.904
flat angles P-C4'-P energy: -98.265
tors. eta vs tors. theta energy: -52.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -460.565412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.565412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.565412 (E_RNA)
where:
Base-Base interactions energy: -4.989
where: short stacking energy: -4.989
Base-Backbone interact. energy: -0.000
local terms energy: -455.576647
where:
bonds (distance) C4'-P energy: -113.675
bonds (distance) P-C4' energy: -105.569
flat angles C4'-P-C4' energy: -85.904
flat angles P-C4'-P energy: -98.265
tors. eta vs tors. theta energy: -52.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -460.565412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.565412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.565412 (E_RNA)
where:
Base-Base interactions energy: -4.989
where: short stacking energy: -4.989
Base-Backbone interact. energy: -0.000
local terms energy: -455.576647
where:
bonds (distance) C4'-P energy: -113.675
bonds (distance) P-C4' energy: -105.569
flat angles C4'-P-C4' energy: -85.904
flat angles P-C4'-P energy: -98.265
tors. eta vs tors. theta energy: -52.163
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: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -594.284522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.284522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.284522 (E_RNA)
where:
Base-Base interactions energy: -258.083
where: short stacking energy: -236.431
Base-Backbone interact. energy: -0.253
local terms energy: -335.949030
where:
bonds (distance) C4'-P energy: -74.733
bonds (distance) P-C4' energy: -72.395
flat angles C4'-P-C4' energy: -67.971
flat angles P-C4'-P energy: -54.944
tors. eta vs tors. theta energy: -65.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -548.375081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.375081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.375081 (E_RNA)
where:
Base-Base interactions energy: -217.712
where: short stacking energy: -203.554
Base-Backbone interact. energy: -0.646
local terms energy: -330.017747
where:
bonds (distance) C4'-P energy: -78.734
bonds (distance) P-C4' energy: -71.964
flat angles C4'-P-C4' energy: -75.404
flat angles P-C4'-P energy: -57.459
tors. eta vs tors. theta energy: -46.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -553.219959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.219959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.219959 (E_RNA)
where:
Base-Base interactions energy: -226.685
where: short stacking energy: -222.675
Base-Backbone interact. energy: -0.217
local terms energy: -326.318376
where:
bonds (distance) C4'-P energy: -78.714
bonds (distance) P-C4' energy: -62.213
flat angles C4'-P-C4' energy: -71.028
flat angles P-C4'-P energy: -52.960
tors. eta vs tors. theta energy: -61.403
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: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -510.449211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.449211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.449211 (E_RNA)
where:
Base-Base interactions energy: -230.117
where: short stacking energy: -208.766
Base-Backbone interact. energy: -0.900
local terms energy: -279.431622
where:
bonds (distance) C4'-P energy: -57.353
bonds (distance) P-C4' energy: -79.513
flat angles C4'-P-C4' energy: -67.469
flat angles P-C4'-P energy: -22.507
tors. eta vs tors. theta energy: -52.590
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -464.317780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.317780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.317780 (E_RNA)
where:
Base-Base interactions energy: -103.590
where: short stacking energy: -103.590
Base-Backbone interact. energy: -0.000
local terms energy: -360.727393
where:
bonds (distance) C4'-P energy: -81.046
bonds (distance) P-C4' energy: -70.921
flat angles C4'-P-C4' energy: -78.253
flat angles P-C4'-P energy: -78.437
tors. eta vs tors. theta energy: -52.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -468.083597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.083597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.083597 (E_RNA)
where:
Base-Base interactions energy: -53.006
where: short stacking energy: -53.006
Base-Backbone interact. energy: -0.000
local terms energy: -415.077641
where:
bonds (distance) C4'-P energy: -92.796
bonds (distance) P-C4' energy: -89.819
flat angles C4'-P-C4' energy: -86.294
flat angles P-C4'-P energy: -91.806
tors. eta vs tors. theta energy: -54.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -463.604587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.604587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.604587 (E_RNA)
where:
Base-Base interactions energy: -13.709
where: short stacking energy: -13.709
Base-Backbone interact. energy: -0.000
local terms energy: -449.895273
where:
bonds (distance) C4'-P energy: -112.446
bonds (distance) P-C4' energy: -102.220
flat angles C4'-P-C4' energy: -85.179
flat angles P-C4'-P energy: -97.422
tors. eta vs tors. theta energy: -52.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -461.854267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.854267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.854267 (E_RNA)
where:
Base-Base interactions energy: -12.648
where: short stacking energy: -12.648
Base-Backbone interact. energy: -0.000
local terms energy: -449.206096
where:
bonds (distance) C4'-P energy: -112.632
bonds (distance) P-C4' energy: -101.533
flat angles C4'-P-C4' energy: -85.286
flat angles P-C4'-P energy: -96.983
tors. eta vs tors. theta energy: -52.773
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: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -461.151544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.151544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.151544 (E_RNA)
where:
Base-Base interactions energy: -9.331
where: short stacking energy: -9.331
Base-Backbone interact. energy: -0.000
local terms energy: -451.820413
where:
bonds (distance) C4'-P energy: -113.087
bonds (distance) P-C4' energy: -103.530
flat angles C4'-P-C4' energy: -85.194
flat angles P-C4'-P energy: -97.404
tors. eta vs tors. theta energy: -52.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -461.255018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.255018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.255018 (E_RNA)
where:
Base-Base interactions energy: -9.654
where: short stacking energy: -9.654
Base-Backbone interact. energy: -0.000
local terms energy: -451.600705
where:
bonds (distance) C4'-P energy: -113.087
bonds (distance) P-C4' energy: -103.530
flat angles C4'-P-C4' energy: -85.194
flat angles P-C4'-P energy: -97.404
tors. eta vs tors. theta energy: -52.385
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -683.771120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.771120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.771120 (E_RNA)
where:
Base-Base interactions energy: -334.148
where: short stacking energy: -270.294
Base-Backbone interact. energy: -1.500
local terms energy: -348.122633
where:
bonds (distance) C4'-P energy: -68.381
bonds (distance) P-C4' energy: -76.842
flat angles C4'-P-C4' energy: -77.945
flat angles P-C4'-P energy: -58.722
tors. eta vs tors. theta energy: -66.233
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: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -620.294124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.294124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.294124 (E_RNA)
where:
Base-Base interactions energy: -294.988
where: short stacking energy: -259.626
Base-Backbone interact. energy: -0.951
local terms energy: -324.355072
where:
bonds (distance) C4'-P energy: -73.142
bonds (distance) P-C4' energy: -72.754
flat angles C4'-P-C4' energy: -74.140
flat angles P-C4'-P energy: -42.974
tors. eta vs tors. theta energy: -61.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -597.636928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.636928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.636928 (E_RNA)
where:
Base-Base interactions energy: -296.500
where: short stacking energy: -214.599
Base-Backbone interact. energy: -1.228
local terms energy: -299.908723
where:
bonds (distance) C4'-P energy: -69.754
bonds (distance) P-C4' energy: -68.278
flat angles C4'-P-C4' energy: -73.743
flat angles P-C4'-P energy: -44.042
tors. eta vs tors. theta energy: -44.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -517.899702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.899702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.899702 (E_RNA)
where:
Base-Base interactions energy: -230.974
where: short stacking energy: -178.240
Base-Backbone interact. energy: 2.921
local terms energy: -289.846407
where:
bonds (distance) C4'-P energy: -56.650
bonds (distance) P-C4' energy: -79.674
flat angles C4'-P-C4' energy: -74.822
flat angles P-C4'-P energy: -48.307
tors. eta vs tors. theta energy: -30.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -438.483609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.483609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.483609 (E_RNA)
where:
Base-Base interactions energy: -168.919
where: short stacking energy: -149.062
Base-Backbone interact. energy: -0.902
local terms energy: -268.661726
where:
bonds (distance) C4'-P energy: -69.220
bonds (distance) P-C4' energy: -73.856
flat angles C4'-P-C4' energy: -58.906
flat angles P-C4'-P energy: -44.528
tors. eta vs tors. theta energy: -22.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -409.352122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.352122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.352122 (E_RNA)
where:
Base-Base interactions energy: -156.135
where: short stacking energy: -144.758
Base-Backbone interact. energy: 1.033
local terms energy: -254.249780
where:
bonds (distance) C4'-P energy: -63.606
bonds (distance) P-C4' energy: -64.768
flat angles C4'-P-C4' energy: -71.066
flat angles P-C4'-P energy: -40.147
tors. eta vs tors. theta energy: -14.662
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: 3
Temperature: 1.200000
Total energy: -384.140821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.140821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.140821 (E_RNA)
where:
Base-Base interactions energy: -153.430
where: short stacking energy: -124.592
Base-Backbone interact. energy: -1.941
local terms energy: -228.770467
where:
bonds (distance) C4'-P energy: -58.110
bonds (distance) P-C4' energy: -69.970
flat angles C4'-P-C4' energy: -66.555
flat angles P-C4'-P energy: -28.342
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: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -373.559189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.559189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.559189 (E_RNA)
where:
Base-Base interactions energy: -125.246
where: short stacking energy: -119.661
Base-Backbone interact. energy: 2.689
local terms energy: -251.001998
where:
bonds (distance) C4'-P energy: -69.741
bonds (distance) P-C4' energy: -67.473
flat angles C4'-P-C4' energy: -54.032
flat angles P-C4'-P energy: -44.412
tors. eta vs tors. theta energy: -15.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -330.842286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.842286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.842286 (E_RNA)
where:
Base-Base interactions energy: -111.582
where: short stacking energy: -83.367
Base-Backbone interact. energy: -2.140
local terms energy: -217.120320
where:
bonds (distance) C4'-P energy: -72.199
bonds (distance) P-C4' energy: -65.965
flat angles C4'-P-C4' energy: -57.666
flat angles P-C4'-P energy: -27.366
tors. eta vs tors. theta energy: 6.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -314.977006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.977006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.977006 (E_RNA)
where:
Base-Base interactions energy: -116.885
where: short stacking energy: -81.933
Base-Backbone interact. energy: 0.458
local terms energy: -198.549534
where:
bonds (distance) C4'-P energy: -59.790
bonds (distance) P-C4' energy: -50.845
flat angles C4'-P-C4' energy: -58.693
flat angles P-C4'-P energy: -29.352
tors. eta vs tors. theta energy: 0.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -746.596427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.596427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.596427 (E_RNA)
where:
Base-Base interactions energy: -385.453
where: short stacking energy: -282.328
Base-Backbone interact. energy: -1.207
local terms energy: -359.936486
where:
bonds (distance) C4'-P energy: -68.284
bonds (distance) P-C4' energy: -66.994
flat angles C4'-P-C4' energy: -87.244
flat angles P-C4'-P energy: -58.818
tors. eta vs tors. theta energy: -78.596
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: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -661.137446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.137446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.137446 (E_RNA)
where:
Base-Base interactions energy: -351.513
where: short stacking energy: -218.942
Base-Backbone interact. energy: -1.786
local terms energy: -307.838435
where:
bonds (distance) C4'-P energy: -71.128
bonds (distance) P-C4' energy: -77.492
flat angles C4'-P-C4' energy: -64.353
flat angles P-C4'-P energy: -46.671
tors. eta vs tors. theta energy: -48.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -635.302983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.302983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.302983 (E_RNA)
where:
Base-Base interactions energy: -305.485
where: short stacking energy: -230.890
Base-Backbone interact. energy: -0.588
local terms energy: -329.230253
where:
bonds (distance) C4'-P energy: -66.613
bonds (distance) P-C4' energy: -75.230
flat angles C4'-P-C4' energy: -77.290
flat angles P-C4'-P energy: -49.127
tors. eta vs tors. theta energy: -60.971
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: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -546.597057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.597057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.597057 (E_RNA)
where:
Base-Base interactions energy: -240.078
where: short stacking energy: -186.280
Base-Backbone interact. energy: 2.521
local terms energy: -309.039391
where:
bonds (distance) C4'-P energy: -73.657
bonds (distance) P-C4' energy: -78.457
flat angles C4'-P-C4' energy: -76.937
flat angles P-C4'-P energy: -39.840
tors. eta vs tors. theta energy: -40.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -501.603577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.603577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.603577 (E_RNA)
where:
Base-Base interactions energy: -232.080
where: short stacking energy: -173.184
Base-Backbone interact. energy: -0.853
local terms energy: -268.670704
where:
bonds (distance) C4'-P energy: -73.751
bonds (distance) P-C4' energy: -63.910
flat angles C4'-P-C4' energy: -60.418
flat angles P-C4'-P energy: -48.305
tors. eta vs tors. theta energy: -22.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -415.661513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.661513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.661513 (E_RNA)
where:
Base-Base interactions energy: -145.638
where: short stacking energy: -140.920
Base-Backbone interact. energy: 0.307
local terms energy: -270.330455
where:
bonds (distance) C4'-P energy: -61.710
bonds (distance) P-C4' energy: -65.123
flat angles C4'-P-C4' energy: -74.270
flat angles P-C4'-P energy: -40.748
tors. eta vs tors. theta energy: -28.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -375.406275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.406275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.406275 (E_RNA)
where:
Base-Base interactions energy: -122.114
where: short stacking energy: -106.369
Base-Backbone interact. energy: -1.818
local terms energy: -251.473976
where:
bonds (distance) C4'-P energy: -70.271
bonds (distance) P-C4' energy: -58.934
flat angles C4'-P-C4' energy: -66.237
flat angles P-C4'-P energy: -41.498
tors. eta vs tors. theta energy: -14.534
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: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -373.496275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.496275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.496275 (E_RNA)
where:
Base-Base interactions energy: -143.014
where: short stacking energy: -108.493
Base-Backbone interact. energy: -2.077
local terms energy: -228.405213
where:
bonds (distance) C4'-P energy: -72.527
bonds (distance) P-C4' energy: -58.859
flat angles C4'-P-C4' energy: -56.011
flat angles P-C4'-P energy: -35.293
tors. eta vs tors. theta energy: -5.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -314.920321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.920321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.920321 (E_RNA)
where:
Base-Base interactions energy: -97.019
where: short stacking energy: -89.874
Base-Backbone interact. energy: 0.248
local terms energy: -218.148760
where:
bonds (distance) C4'-P energy: -57.435
bonds (distance) P-C4' energy: -67.080
flat angles C4'-P-C4' energy: -68.776
flat angles P-C4'-P energy: -31.567
tors. eta vs tors. theta energy: 6.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -316.073470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.073470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.073470 (E_RNA)
where:
Base-Base interactions energy: -113.734
where: short stacking energy: -80.531
Base-Backbone interact. energy: 2.849
local terms energy: -205.187681
where:
bonds (distance) C4'-P energy: -71.477
bonds (distance) P-C4' energy: -53.281
flat angles C4'-P-C4' energy: -56.948
flat angles P-C4'-P energy: -33.624
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: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -787.156272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.156272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.156272 (E_RNA)
where:
Base-Base interactions energy: -425.312
where: short stacking energy: -262.835
Base-Backbone interact. energy: -0.399
local terms energy: -361.445645
where:
bonds (distance) C4'-P energy: -82.718
bonds (distance) P-C4' energy: -70.962
flat angles C4'-P-C4' energy: -80.850
flat angles P-C4'-P energy: -52.821
tors. eta vs tors. theta energy: -74.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -741.747364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.747364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.747364 (E_RNA)
where:
Base-Base interactions energy: -408.098
where: short stacking energy: -251.185
Base-Backbone interact. energy: -1.073
local terms energy: -332.576812
where:
bonds (distance) C4'-P energy: -71.127
bonds (distance) P-C4' energy: -74.591
flat angles C4'-P-C4' energy: -68.492
flat angles P-C4'-P energy: -55.482
tors. eta vs tors. theta energy: -62.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -693.865788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.865788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.865788 (E_RNA)
where:
Base-Base interactions energy: -385.127
where: short stacking energy: -237.914
Base-Backbone interact. energy: 1.210
local terms energy: -309.949254
where:
bonds (distance) C4'-P energy: -70.502
bonds (distance) P-C4' energy: -71.758
flat angles C4'-P-C4' energy: -72.387
flat angles P-C4'-P energy: -42.900
tors. eta vs tors. theta energy: -52.402
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: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -600.303483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.303483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.303483 (E_RNA)
where:
Base-Base interactions energy: -292.329
where: short stacking energy: -196.858
Base-Backbone interact. energy: -1.584
local terms energy: -306.390063
where:
bonds (distance) C4'-P energy: -69.976
bonds (distance) P-C4' energy: -82.210
flat angles C4'-P-C4' energy: -68.797
flat angles P-C4'-P energy: -41.241
tors. eta vs tors. theta energy: -44.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -443.522812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.522812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.522812 (E_RNA)
where:
Base-Base interactions energy: -193.233
where: short stacking energy: -159.141
Base-Backbone interact. energy: 0.121
local terms energy: -250.411494
where:
bonds (distance) C4'-P energy: -60.665
bonds (distance) P-C4' energy: -60.254
flat angles C4'-P-C4' energy: -69.601
flat angles P-C4'-P energy: -40.793
tors. eta vs tors. theta energy: -19.099
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: 5
Temperature: 1.150000
Total energy: -453.654662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.654662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.654662 (E_RNA)
where:
Base-Base interactions energy: -204.574
where: short stacking energy: -154.728
Base-Backbone interact. energy: -0.472
local terms energy: -248.607793
where:
bonds (distance) C4'-P energy: -48.329
bonds (distance) P-C4' energy: -76.739
flat angles C4'-P-C4' energy: -62.267
flat angles P-C4'-P energy: -33.172
tors. eta vs tors. theta energy: -28.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -362.072910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.072910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.072910 (E_RNA)
where:
Base-Base interactions energy: -125.364
where: short stacking energy: -110.238
Base-Backbone interact. energy: 0.586
local terms energy: -237.294646
where:
bonds (distance) C4'-P energy: -70.544
bonds (distance) P-C4' energy: -70.299
flat angles C4'-P-C4' energy: -47.248
flat angles P-C4'-P energy: -36.369
tors. eta vs tors. theta energy: -12.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -329.497629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.497629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.497629 (E_RNA)
where:
Base-Base interactions energy: -110.164
where: short stacking energy: -104.214
Base-Backbone interact. energy: 0.805
local terms energy: -220.138447
where:
bonds (distance) C4'-P energy: -72.258
bonds (distance) P-C4' energy: -69.335
flat angles C4'-P-C4' energy: -50.289
flat angles P-C4'-P energy: -28.825
tors. eta vs tors. theta energy: 0.569
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: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -324.241407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.241407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.241407 (E_RNA)
where:
Base-Base interactions energy: -99.761
where: short stacking energy: -78.415
Base-Backbone interact. energy: 1.504
local terms energy: -225.985115
where:
bonds (distance) C4'-P energy: -60.837
bonds (distance) P-C4' energy: -73.437
flat angles C4'-P-C4' energy: -64.912
flat angles P-C4'-P energy: -29.516
tors. eta vs tors. theta energy: 2.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -290.566900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.566900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.566900 (E_RNA)
where:
Base-Base interactions energy: -88.009
where: short stacking energy: -68.619
Base-Backbone interact. energy: 1.973
local terms energy: -204.530799
where:
bonds (distance) C4'-P energy: -46.002
bonds (distance) P-C4' energy: -78.217
flat angles C4'-P-C4' energy: -52.069
flat angles P-C4'-P energy: -28.856
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: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -797.669764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.669764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.669764 (E_RNA)
where:
Base-Base interactions energy: -444.924
where: short stacking energy: -280.787
Base-Backbone interact. energy: -1.234
local terms energy: -351.511322
where:
bonds (distance) C4'-P energy: -79.853
bonds (distance) P-C4' energy: -81.709
flat angles C4'-P-C4' energy: -65.910
flat angles P-C4'-P energy: -46.044
tors. eta vs tors. theta energy: -77.995
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: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -784.402184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.402184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.402184 (E_RNA)
where:
Base-Base interactions energy: -442.348
where: short stacking energy: -256.493
Base-Backbone interact. energy: -1.337
local terms energy: -340.716707
where:
bonds (distance) C4'-P energy: -79.846
bonds (distance) P-C4' energy: -76.201
flat angles C4'-P-C4' energy: -65.440
flat angles P-C4'-P energy: -55.101
tors. eta vs tors. theta energy: -64.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -738.224844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.224844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.224844 (E_RNA)
where:
Base-Base interactions energy: -425.289
where: short stacking energy: -232.827
Base-Backbone interact. energy: -1.448
local terms energy: -311.488329
where:
bonds (distance) C4'-P energy: -70.445
bonds (distance) P-C4' energy: -75.172
flat angles C4'-P-C4' energy: -77.415
flat angles P-C4'-P energy: -34.928
tors. eta vs tors. theta energy: -53.529
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: 6
Temperature: 1.050000
Total energy: -677.986614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.986614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.986614 (E_RNA)
where:
Base-Base interactions energy: -389.091
where: short stacking energy: -197.943
Base-Backbone interact. energy: 0.120
local terms energy: -289.015021
where:
bonds (distance) C4'-P energy: -64.485
bonds (distance) P-C4' energy: -72.413
flat angles C4'-P-C4' energy: -76.866
flat angles P-C4'-P energy: -43.400
tors. eta vs tors. theta energy: -31.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -597.116870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.116870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.116870 (E_RNA)
where:
Base-Base interactions energy: -325.458
where: short stacking energy: -171.547
Base-Backbone interact. energy: -0.954
local terms energy: -270.704367
where:
bonds (distance) C4'-P energy: -56.690
bonds (distance) P-C4' energy: -73.353
flat angles C4'-P-C4' energy: -66.327
flat angles P-C4'-P energy: -46.419
tors. eta vs tors. theta energy: -27.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -473.038162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.038162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.038162 (E_RNA)
where:
Base-Base interactions energy: -219.953
where: short stacking energy: -156.034
Base-Backbone interact. energy: -0.738
local terms energy: -252.347881
where:
bonds (distance) C4'-P energy: -62.017
bonds (distance) P-C4' energy: -63.670
flat angles C4'-P-C4' energy: -65.050
flat angles P-C4'-P energy: -33.576
tors. eta vs tors. theta energy: -28.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -369.440194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.440194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.440194 (E_RNA)
where:
Base-Base interactions energy: -139.566
where: short stacking energy: -120.216
Base-Backbone interact. energy: 1.886
local terms energy: -231.760042
where:
bonds (distance) C4'-P energy: -69.110
bonds (distance) P-C4' energy: -60.060
flat angles C4'-P-C4' energy: -66.908
flat angles P-C4'-P energy: -35.395
tors. eta vs tors. theta energy: -0.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -368.572038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.572038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.572038 (E_RNA)
where:
Base-Base interactions energy: -150.697
where: short stacking energy: -85.554
Base-Backbone interact. energy: -1.917
local terms energy: -215.958188
where:
bonds (distance) C4'-P energy: -60.442
bonds (distance) P-C4' energy: -69.679
flat angles C4'-P-C4' energy: -54.425
flat angles P-C4'-P energy: -36.965
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: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -339.056495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.056495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.056495 (E_RNA)
where:
Base-Base interactions energy: -137.569
where: short stacking energy: -84.857
Base-Backbone interact. energy: -0.832
local terms energy: -200.655720
where:
bonds (distance) C4'-P energy: -63.894
bonds (distance) P-C4' energy: -63.611
flat angles C4'-P-C4' energy: -58.194
flat angles P-C4'-P energy: -32.648
tors. eta vs tors. theta energy: 17.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -285.609986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.609986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.609986 (E_RNA)
where:
Base-Base interactions energy: -77.860
where: short stacking energy: -72.044
Base-Backbone interact. energy: -0.898
local terms energy: -206.851177
where:
bonds (distance) C4'-P energy: -53.902
bonds (distance) P-C4' energy: -58.904
flat angles C4'-P-C4' energy: -53.686
flat angles P-C4'-P energy: -54.624
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: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -864.681894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.681894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.681894 (E_RNA)
where:
Base-Base interactions energy: -498.122
where: short stacking energy: -291.596
Base-Backbone interact. energy: -1.445
local terms energy: -365.114288
where:
bonds (distance) C4'-P energy: -82.636
bonds (distance) P-C4' energy: -79.854
flat angles C4'-P-C4' energy: -77.151
flat angles P-C4'-P energy: -51.369
tors. eta vs tors. theta energy: -74.104
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: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -782.017037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.017037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.017037 (E_RNA)
where:
Base-Base interactions energy: -439.673
where: short stacking energy: -282.088
Base-Backbone interact. energy: -0.673
local terms energy: -341.671026
where:
bonds (distance) C4'-P energy: -73.757
bonds (distance) P-C4' energy: -62.241
flat angles C4'-P-C4' energy: -73.749
flat angles P-C4'-P energy: -51.567
tors. eta vs tors. theta energy: -80.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -771.692382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.692382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.692382 (E_RNA)
where:
Base-Base interactions energy: -442.323
where: short stacking energy: -246.680
Base-Backbone interact. energy: -1.442
local terms energy: -327.926785
where:
bonds (distance) C4'-P energy: -71.920
bonds (distance) P-C4' energy: -73.045
flat angles C4'-P-C4' energy: -80.966
flat angles P-C4'-P energy: -45.910
tors. eta vs tors. theta energy: -56.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -684.821607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.821607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.821607 (E_RNA)
where:
Base-Base interactions energy: -382.225
where: short stacking energy: -190.369
Base-Backbone interact. energy: -1.619
local terms energy: -300.977023
where:
bonds (distance) C4'-P energy: -61.475
bonds (distance) P-C4' energy: -76.760
flat angles C4'-P-C4' energy: -76.993
flat angles P-C4'-P energy: -48.164
tors. eta vs tors. theta energy: -37.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -712.602183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.602183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.602183 (E_RNA)
where:
Base-Base interactions energy: -423.752
where: short stacking energy: -205.457
Base-Backbone interact. energy: -0.815
local terms energy: -288.035170
where:
bonds (distance) C4'-P energy: -67.783
bonds (distance) P-C4' energy: -60.787
flat angles C4'-P-C4' energy: -65.840
flat angles P-C4'-P energy: -47.649
tors. eta vs tors. theta energy: -45.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -604.541722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.541722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.541722 (E_RNA)
where:
Base-Base interactions energy: -331.613
where: short stacking energy: -180.281
Base-Backbone interact. energy: 0.618
local terms energy: -273.546616
where:
bonds (distance) C4'-P energy: -64.889
bonds (distance) P-C4' energy: -69.851
flat angles C4'-P-C4' energy: -65.461
flat angles P-C4'-P energy: -41.018
tors. eta vs tors. theta energy: -32.328
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: 6
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -396.230088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.230088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.230088 (E_RNA)
where:
Base-Base interactions energy: -159.685
where: short stacking energy: -113.765
Base-Backbone interact. energy: 4.382
local terms energy: -240.926802
where:
bonds (distance) C4'-P energy: -61.679
bonds (distance) P-C4' energy: -74.566
flat angles C4'-P-C4' energy: -72.127
flat angles P-C4'-P energy: -36.944
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: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -353.804435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.804435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.804435 (E_RNA)
where:
Base-Base interactions energy: -138.757
where: short stacking energy: -103.897
Base-Backbone interact. energy: -1.438
local terms energy: -213.609677
where:
bonds (distance) C4'-P energy: -63.385
bonds (distance) P-C4' energy: -71.554
flat angles C4'-P-C4' energy: -44.335
flat angles P-C4'-P energy: -31.241
tors. eta vs tors. theta energy: -3.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -336.226099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.226099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.226099 (E_RNA)
where:
Base-Base interactions energy: -145.143
where: short stacking energy: -97.016
Base-Backbone interact. energy: -2.280
local terms energy: -188.803081
where:
bonds (distance) C4'-P energy: -61.703
bonds (distance) P-C4' energy: -59.177
flat angles C4'-P-C4' energy: -45.507
flat angles P-C4'-P energy: -32.725
tors. eta vs tors. theta energy: 10.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -306.582689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.582689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.582689 (E_RNA)
where:
Base-Base interactions energy: -93.747
where: short stacking energy: -84.755
Base-Backbone interact. energy: 1.912
local terms energy: -214.747347
where:
bonds (distance) C4'-P energy: -60.289
bonds (distance) P-C4' energy: -70.271
flat angles C4'-P-C4' energy: -60.729
flat angles P-C4'-P energy: -28.437
tors. eta vs tors. theta energy: 4.978
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: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -887.969754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.969754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.969754 (E_RNA)
where:
Base-Base interactions energy: -517.644
where: short stacking energy: -295.154
Base-Backbone interact. energy: -1.868
local terms energy: -368.458355
where:
bonds (distance) C4'-P energy: -71.267
bonds (distance) P-C4' energy: -71.287
flat angles C4'-P-C4' energy: -78.359
flat angles P-C4'-P energy: -56.993
tors. eta vs tors. theta energy: -90.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -826.097523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.097523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.097523 (E_RNA)
where:
Base-Base interactions energy: -501.314
where: short stacking energy: -266.484
Base-Backbone interact. energy: 0.659
local terms energy: -325.442567
where:
bonds (distance) C4'-P energy: -67.953
bonds (distance) P-C4' energy: -74.390
flat angles C4'-P-C4' energy: -75.188
flat angles P-C4'-P energy: -45.257
tors. eta vs tors. theta energy: -62.655
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: 2
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -730.649466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.649466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.649466 (E_RNA)
where:
Base-Base interactions energy: -437.335
where: short stacking energy: -217.236
Base-Backbone interact. energy: -1.378
local terms energy: -291.936998
where:
bonds (distance) C4'-P energy: -76.206
bonds (distance) P-C4' energy: -66.736
flat angles C4'-P-C4' energy: -60.548
flat angles P-C4'-P energy: -40.150
tors. eta vs tors. theta energy: -48.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -720.080695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.080695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.080695 (E_RNA)
where:
Base-Base interactions energy: -409.641
where: short stacking energy: -215.757
Base-Backbone interact. energy: -1.998
local terms energy: -308.441830
where:
bonds (distance) C4'-P energy: -59.009
bonds (distance) P-C4' energy: -77.349
flat angles C4'-P-C4' energy: -71.538
flat angles P-C4'-P energy: -40.678
tors. eta vs tors. theta energy: -59.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -698.133138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.133138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.133138 (E_RNA)
where:
Base-Base interactions energy: -420.137
where: short stacking energy: -203.926
Base-Backbone interact. energy: -1.166
local terms energy: -276.830318
where:
bonds (distance) C4'-P energy: -62.664
bonds (distance) P-C4' energy: -78.815
flat angles C4'-P-C4' energy: -69.259
flat angles P-C4'-P energy: -25.949
tors. eta vs tors. theta energy: -40.143
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: 5
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -696.311500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.311500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.311500 (E_RNA)
where:
Base-Base interactions energy: -403.526
where: short stacking energy: -220.236
Base-Backbone interact. energy: -1.186
local terms energy: -291.600264
where:
bonds (distance) C4'-P energy: -70.348
bonds (distance) P-C4' energy: -66.350
flat angles C4'-P-C4' energy: -65.450
flat angles P-C4'-P energy: -37.217
tors. eta vs tors. theta energy: -52.236
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: 6
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -388.988074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.988074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.988074 (E_RNA)
where:
Base-Base interactions energy: -157.178
where: short stacking energy: -96.601
Base-Backbone interact. energy: -2.121
local terms energy: -229.688339
where:
bonds (distance) C4'-P energy: -67.466
bonds (distance) P-C4' energy: -71.064
flat angles C4'-P-C4' energy: -58.471
flat angles P-C4'-P energy: -33.314
tors. eta vs tors. theta energy: 0.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -411.533264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.533264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.533264 (E_RNA)
where:
Base-Base interactions energy: -163.073
where: short stacking energy: -111.845
Base-Backbone interact. energy: 1.598
local terms energy: -250.058368
where:
bonds (distance) C4'-P energy: -65.996
bonds (distance) P-C4' energy: -67.464
flat angles C4'-P-C4' energy: -62.742
flat angles P-C4'-P energy: -36.253
tors. eta vs tors. theta energy: -17.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -309.913268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.913268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.913268 (E_RNA)
where:
Base-Base interactions energy: -104.141
where: short stacking energy: -89.856
Base-Backbone interact. energy: 1.765
local terms energy: -207.536989
where:
bonds (distance) C4'-P energy: -54.953
bonds (distance) P-C4' energy: -63.338
flat angles C4'-P-C4' energy: -66.799
flat angles P-C4'-P energy: -31.931
tors. eta vs tors. theta energy: 9.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -315.970663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.970663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.970663 (E_RNA)
where:
Base-Base interactions energy: -133.093
where: short stacking energy: -99.502
Base-Backbone interact. energy: 1.331
local terms energy: -184.208889
where:
bonds (distance) C4'-P energy: -64.601
bonds (distance) P-C4' energy: -68.090
flat angles C4'-P-C4' energy: -50.320
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: 12.436
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: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -899.604011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.604011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.604011 (E_RNA)
where:
Base-Base interactions energy: -547.326
where: short stacking energy: -271.525
Base-Backbone interact. energy: -1.831
local terms energy: -350.447866
where:
bonds (distance) C4'-P energy: -74.624
bonds (distance) P-C4' energy: -75.914
flat angles C4'-P-C4' energy: -76.815
flat angles P-C4'-P energy: -50.315
tors. eta vs tors. theta energy: -72.779
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: 2, replica: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -815.066336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.066336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.066336 (E_RNA)
where:
Base-Base interactions energy: -477.751
where: short stacking energy: -254.899
Base-Backbone interact. energy: 1.661
local terms energy: -338.977206
where:
bonds (distance) C4'-P energy: -74.351
bonds (distance) P-C4' energy: -78.319
flat angles C4'-P-C4' energy: -67.955
flat angles P-C4'-P energy: -53.161
tors. eta vs tors. theta energy: -65.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -760.855586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.855586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.855586 (E_RNA)
where:
Base-Base interactions energy: -458.205
where: short stacking energy: -243.147
Base-Backbone interact. energy: 0.375
local terms energy: -303.025903
where:
bonds (distance) C4'-P energy: -72.423
bonds (distance) P-C4' energy: -56.078
flat angles C4'-P-C4' energy: -76.696
flat angles P-C4'-P energy: -39.705
tors. eta vs tors. theta energy: -58.124
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: 7
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -717.928935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.928935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.928935 (E_RNA)
where:
Base-Base interactions energy: -415.853
where: short stacking energy: -209.701
Base-Backbone interact. energy: -0.145
local terms energy: -301.931515
where:
bonds (distance) C4'-P energy: -68.049
bonds (distance) P-C4' energy: -77.208
flat angles C4'-P-C4' energy: -74.924
flat angles P-C4'-P energy: -48.106
tors. eta vs tors. theta energy: -33.645
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: 9
Temperature: 1.100000
Total energy: -681.056928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.056928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.056928 (E_RNA)
where:
Base-Base interactions energy: -395.935
where: short stacking energy: -186.866
Base-Backbone interact. energy: -1.327
local terms energy: -283.794456
where:
bonds (distance) C4'-P energy: -77.712
bonds (distance) P-C4' energy: -68.162
flat angles C4'-P-C4' energy: -63.780
flat angles P-C4'-P energy: -34.288
tors. eta vs tors. theta energy: -39.853
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: 5
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -689.769901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.769901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.769901 (E_RNA)
where:
Base-Base interactions energy: -401.782
where: short stacking energy: -213.284
Base-Backbone interact. energy: 0.546
local terms energy: -288.533189
where:
bonds (distance) C4'-P energy: -65.980
bonds (distance) P-C4' energy: -58.206
flat angles C4'-P-C4' energy: -64.817
flat angles P-C4'-P energy: -50.271
tors. eta vs tors. theta energy: -49.258
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: 7, replica: 6
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -360.671808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.671808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.671808 (E_RNA)
where:
Base-Base interactions energy: -119.879
where: short stacking energy: -87.063
Base-Backbone interact. energy: -2.926
local terms energy: -237.866926
where:
bonds (distance) C4'-P energy: -69.488
bonds (distance) P-C4' energy: -69.137
flat angles C4'-P-C4' energy: -62.638
flat angles P-C4'-P energy: -36.038
tors. eta vs tors. theta energy: -0.566
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: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -345.349724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.349724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.349724 (E_RNA)
where:
Base-Base interactions energy: -115.005
where: short stacking energy: -82.275
Base-Backbone interact. energy: -0.007
local terms energy: -230.337117
where:
bonds (distance) C4'-P energy: -69.768
bonds (distance) P-C4' energy: -74.791
flat angles C4'-P-C4' energy: -61.541
flat angles P-C4'-P energy: -32.999
tors. eta vs tors. theta energy: 8.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -368.406450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.406450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.406450 (E_RNA)
where:
Base-Base interactions energy: -168.210
where: short stacking energy: -106.809
Base-Backbone interact. energy: -1.533
local terms energy: -198.662852
where:
bonds (distance) C4'-P energy: -61.966
bonds (distance) P-C4' energy: -64.608
flat angles C4'-P-C4' energy: -41.851
flat angles P-C4'-P energy: -20.951
tors. eta vs tors. theta energy: -9.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -315.759443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.759443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.759443 (E_RNA)
where:
Base-Base interactions energy: -90.355
where: short stacking energy: -84.535
Base-Backbone interact. energy: -1.289
local terms energy: -224.115602
where:
bonds (distance) C4'-P energy: -68.845
bonds (distance) P-C4' energy: -68.785
flat angles C4'-P-C4' energy: -53.890
flat angles P-C4'-P energy: -30.151
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: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -949.124885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.124885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.124885 (E_RNA)
where:
Base-Base interactions energy: -566.779
where: short stacking energy: -286.399
Base-Backbone interact. energy: -1.374
local terms energy: -380.972239
where:
bonds (distance) C4'-P energy: -71.416
bonds (distance) P-C4' energy: -79.234
flat angles C4'-P-C4' energy: -86.300
flat angles P-C4'-P energy: -60.042
tors. eta vs tors. theta energy: -83.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -796.127879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.127879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.127879 (E_RNA)
where:
Base-Base interactions energy: -462.493
where: short stacking energy: -242.098
Base-Backbone interact. energy: -1.442
local terms energy: -332.192387
where:
bonds (distance) C4'-P energy: -70.866
bonds (distance) P-C4' energy: -71.824
flat angles C4'-P-C4' energy: -75.554
flat angles P-C4'-P energy: -51.392
tors. eta vs tors. theta energy: -62.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -784.441466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.441466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.441466 (E_RNA)
where:
Base-Base interactions energy: -463.407
where: short stacking energy: -226.666
Base-Backbone interact. energy: -2.431
local terms energy: -318.604319
where:
bonds (distance) C4'-P energy: -63.089
bonds (distance) P-C4' energy: -76.692
flat angles C4'-P-C4' energy: -75.531
flat angles P-C4'-P energy: -40.376
tors. eta vs tors. theta energy: -62.916
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: 4, replica: 7
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -711.156559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.156559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.156559 (E_RNA)
where:
Base-Base interactions energy: -410.847
where: short stacking energy: -199.830
Base-Backbone interact. energy: -1.114
local terms energy: -299.195935
where:
bonds (distance) C4'-P energy: -69.037
bonds (distance) P-C4' energy: -75.033
flat angles C4'-P-C4' energy: -59.088
flat angles P-C4'-P energy: -49.957
tors. eta vs tors. theta energy: -46.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -699.303708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.303708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.303708 (E_RNA)
where:
Base-Base interactions energy: -429.597
where: short stacking energy: -195.748
Base-Backbone interact. energy: -0.002
local terms energy: -269.704313
where:
bonds (distance) C4'-P energy: -70.553
bonds (distance) P-C4' energy: -58.830
flat angles C4'-P-C4' energy: -68.496
flat angles P-C4'-P energy: -39.511
tors. eta vs tors. theta energy: -32.315
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: 5
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -699.631215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.631215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.631215 (E_RNA)
where:
Base-Base interactions energy: -412.186
where: short stacking energy: -187.701
Base-Backbone interact. energy: -3.057
local terms energy: -284.388365
where:
bonds (distance) C4'-P energy: -62.474
bonds (distance) P-C4' energy: -61.665
flat angles C4'-P-C4' energy: -73.334
flat angles P-C4'-P energy: -47.141
tors. eta vs tors. theta energy: -39.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -430.999105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.999105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.999105 (E_RNA)
where:
Base-Base interactions energy: -209.786
where: short stacking energy: -119.373
Base-Backbone interact. energy: 1.210
local terms energy: -222.422473
where:
bonds (distance) C4'-P energy: -60.772
bonds (distance) P-C4' energy: -66.453
flat angles C4'-P-C4' energy: -61.285
flat angles P-C4'-P energy: -33.267
tors. eta vs tors. theta energy: -0.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -344.655571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.655571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.655571 (E_RNA)
where:
Base-Base interactions energy: -142.485
where: short stacking energy: -111.002
Base-Backbone interact. energy: -0.361
local terms energy: -201.809515
where:
bonds (distance) C4'-P energy: -52.732
bonds (distance) P-C4' energy: -74.333
flat angles C4'-P-C4' energy: -59.782
flat angles P-C4'-P energy: -17.746
tors. eta vs tors. theta energy: 2.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -363.831093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.831093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.831093 (E_RNA)
where:
Base-Base interactions energy: -165.796
where: short stacking energy: -112.229
Base-Backbone interact. energy: 0.624
local terms energy: -198.658831
where:
bonds (distance) C4'-P energy: -55.893
bonds (distance) P-C4' energy: -53.886
flat angles C4'-P-C4' energy: -51.481
flat angles P-C4'-P energy: -28.827
tors. eta vs tors. theta energy: -8.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -284.678416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.678416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.678416 (E_RNA)
where:
Base-Base interactions energy: -89.773
where: short stacking energy: -59.493
Base-Backbone interact. energy: -0.418
local terms energy: -194.487392
where:
bonds (distance) C4'-P energy: -54.305
bonds (distance) P-C4' energy: -75.382
flat angles C4'-P-C4' energy: -46.261
flat angles P-C4'-P energy: -41.441
tors. eta vs tors. theta energy: 22.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -957.032187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.032187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.032187 (E_RNA)
where:
Base-Base interactions energy: -586.328
where: short stacking energy: -299.374
Base-Backbone interact. energy: -1.430
local terms energy: -369.273959
where:
bonds (distance) C4'-P energy: -73.738
bonds (distance) P-C4' energy: -71.575
flat angles C4'-P-C4' energy: -81.892
flat angles P-C4'-P energy: -56.411
tors. eta vs tors. theta energy: -85.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -846.462611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.462611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.462611 (E_RNA)
where:
Base-Base interactions energy: -517.758
where: short stacking energy: -243.033
Base-Backbone interact. energy: -1.131
local terms energy: -327.572920
where:
bonds (distance) C4'-P energy: -80.456
bonds (distance) P-C4' energy: -72.933
flat angles C4'-P-C4' energy: -65.957
flat angles P-C4'-P energy: -54.788
tors. eta vs tors. theta energy: -53.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -771.045585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.045585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.045585 (E_RNA)
where:
Base-Base interactions energy: -463.648
where: short stacking energy: -247.927
Base-Backbone interact. energy: 0.338
local terms energy: -307.735775
where:
bonds (distance) C4'-P energy: -56.227
bonds (distance) P-C4' energy: -77.478
flat angles C4'-P-C4' energy: -78.976
flat angles P-C4'-P energy: -49.684
tors. eta vs tors. theta energy: -45.370
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: 11
Temperature: 1.050000
Total energy: -730.046378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.046378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.046378 (E_RNA)
where:
Base-Base interactions energy: -432.753
where: short stacking energy: -228.199
Base-Backbone interact. energy: 1.444
local terms energy: -298.737139
where:
bonds (distance) C4'-P energy: -66.077
bonds (distance) P-C4' energy: -63.582
flat angles C4'-P-C4' energy: -74.950
flat angles P-C4'-P energy: -44.253
tors. eta vs tors. theta energy: -49.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -657.096642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.096642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.096642 (E_RNA)
where:
Base-Base interactions energy: -370.797
where: short stacking energy: -210.563
Base-Backbone interact. energy: -0.161
local terms energy: -286.138435
where:
bonds (distance) C4'-P energy: -77.900
bonds (distance) P-C4' energy: -49.252
flat angles C4'-P-C4' energy: -65.402
flat angles P-C4'-P energy: -51.640
tors. eta vs tors. theta energy: -41.945
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: 5
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -700.572804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.572804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.572804 (E_RNA)
where:
Base-Base interactions energy: -426.512
where: short stacking energy: -218.373
Base-Backbone interact. energy: 0.676
local terms energy: -274.736045
where:
bonds (distance) C4'-P energy: -51.404
bonds (distance) P-C4' energy: -61.833
flat angles C4'-P-C4' energy: -70.639
flat angles P-C4'-P energy: -43.804
tors. eta vs tors. theta energy: -47.056
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: 6
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -435.370946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.370946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.370946 (E_RNA)
where:
Base-Base interactions energy: -202.371
where: short stacking energy: -119.094
Base-Backbone interact. energy: -0.448
local terms energy: -232.552017
where:
bonds (distance) C4'-P energy: -62.622
bonds (distance) P-C4' energy: -62.033
flat angles C4'-P-C4' energy: -51.422
flat angles P-C4'-P energy: -44.942
tors. eta vs tors. theta energy: -11.533
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: 11
Temperature: 1.250000
Total energy: -421.747482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.747482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.747482 (E_RNA)
where:
Base-Base interactions energy: -190.337
where: short stacking energy: -130.479
Base-Backbone interact. energy: 2.569
local terms energy: -233.979423
where:
bonds (distance) C4'-P energy: -56.223
bonds (distance) P-C4' energy: -59.681
flat angles C4'-P-C4' energy: -54.999
flat angles P-C4'-P energy: -41.482
tors. eta vs tors. theta energy: -21.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -309.443955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.443955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.443955 (E_RNA)
where:
Base-Base interactions energy: -109.986
where: short stacking energy: -76.465
Base-Backbone interact. energy: 0.192
local terms energy: -199.649800
where:
bonds (distance) C4'-P energy: -72.539
bonds (distance) P-C4' energy: -58.988
flat angles C4'-P-C4' energy: -43.276
flat angles P-C4'-P energy: -29.664
tors. eta vs tors. theta energy: 4.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -312.754742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.754742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.754742 (E_RNA)
where:
Base-Base interactions energy: -123.298
where: short stacking energy: -88.465
Base-Backbone interact. energy: 0.794
local terms energy: -190.250717
where:
bonds (distance) C4'-P energy: -54.649
bonds (distance) P-C4' energy: -66.952
flat angles C4'-P-C4' energy: -58.088
flat angles P-C4'-P energy: -21.701
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: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -973.193221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.193221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.193221 (E_RNA)
where:
Base-Base interactions energy: -612.832
where: short stacking energy: -296.989
Base-Backbone interact. energy: -0.345
local terms energy: -360.015920
where:
bonds (distance) C4'-P energy: -72.000
bonds (distance) P-C4' energy: -78.292
flat angles C4'-P-C4' energy: -80.956
flat angles P-C4'-P energy: -50.406
tors. eta vs tors. theta energy: -78.363
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: 12
Temperature: 0.950000
Total energy: -857.959822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.959822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.959822 (E_RNA)
where:
Base-Base interactions energy: -524.754
where: short stacking energy: -268.691
Base-Backbone interact. energy: 1.647
local terms energy: -334.852560
where:
bonds (distance) C4'-P energy: -69.102
bonds (distance) P-C4' energy: -76.042
flat angles C4'-P-C4' energy: -70.392
flat angles P-C4'-P energy: -42.585
tors. eta vs tors. theta energy: -76.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -805.729663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.729663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.729663 (E_RNA)
where:
Base-Base interactions energy: -484.106
where: short stacking energy: -249.919
Base-Backbone interact. energy: 0.679
local terms energy: -322.301917
where:
bonds (distance) C4'-P energy: -77.869
bonds (distance) P-C4' energy: -67.698
flat angles C4'-P-C4' energy: -63.961
flat angles P-C4'-P energy: -48.875
tors. eta vs tors. theta energy: -63.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -765.658006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.658006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.658006 (E_RNA)
where:
Base-Base interactions energy: -471.523
where: short stacking energy: -233.756
Base-Backbone interact. energy: 1.827
local terms energy: -295.962769
where:
bonds (distance) C4'-P energy: -64.118
bonds (distance) P-C4' energy: -75.739
flat angles C4'-P-C4' energy: -74.392
flat angles P-C4'-P energy: -37.061
tors. eta vs tors. theta energy: -44.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -712.537610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.537610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.537610 (E_RNA)
where:
Base-Base interactions energy: -432.224
where: short stacking energy: -211.283
Base-Backbone interact. energy: -0.167
local terms energy: -280.146467
where:
bonds (distance) C4'-P energy: -65.866
bonds (distance) P-C4' energy: -67.882
flat angles C4'-P-C4' energy: -68.658
flat angles P-C4'-P energy: -39.499
tors. eta vs tors. theta energy: -38.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -598.076720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.076720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.076720 (E_RNA)
where:
Base-Base interactions energy: -323.553
where: short stacking energy: -163.067
Base-Backbone interact. energy: -0.900
local terms energy: -273.624120
where:
bonds (distance) C4'-P energy: -69.828
bonds (distance) P-C4' energy: -71.305
flat angles C4'-P-C4' energy: -65.274
flat angles P-C4'-P energy: -41.654
tors. eta vs tors. theta energy: -25.564
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: 12
Temperature: 1.200000
Total energy: -532.102433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.102433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.102433 (E_RNA)
where:
Base-Base interactions energy: -287.300
where: short stacking energy: -179.234
Base-Backbone interact. energy: 1.272
local terms energy: -246.074241
where:
bonds (distance) C4'-P energy: -66.321
bonds (distance) P-C4' energy: -62.627
flat angles C4'-P-C4' energy: -64.862
flat angles P-C4'-P energy: -35.203
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: 8, replica: 9
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -439.098767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.098767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.098767 (E_RNA)
where:
Base-Base interactions energy: -197.422
where: short stacking energy: -101.949
Base-Backbone interact. energy: -1.043
local terms energy: -240.633351
where:
bonds (distance) C4'-P energy: -66.155
bonds (distance) P-C4' energy: -66.642
flat angles C4'-P-C4' energy: -59.522
flat angles P-C4'-P energy: -33.695
tors. eta vs tors. theta energy: -14.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -306.965296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.965296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.965296 (E_RNA)
where:
Base-Base interactions energy: -109.700
where: short stacking energy: -87.985
Base-Backbone interact. energy: 1.795
local terms energy: -199.059992
where:
bonds (distance) C4'-P energy: -59.507
bonds (distance) P-C4' energy: -66.205
flat angles C4'-P-C4' energy: -60.318
flat angles P-C4'-P energy: -18.926
tors. eta vs tors. theta energy: 5.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -278.835867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.835867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.835867 (E_RNA)
where:
Base-Base interactions energy: -95.416
where: short stacking energy: -76.692
Base-Backbone interact. energy: -1.763
local terms energy: -181.657474
where:
bonds (distance) C4'-P energy: -66.163
bonds (distance) P-C4' energy: -50.268
flat angles C4'-P-C4' energy: -37.080
flat angles P-C4'-P energy: -36.336
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: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -993.524296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.524296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.524296 (E_RNA)
where:
Base-Base interactions energy: -633.654
where: short stacking energy: -295.433
Base-Backbone interact. energy: -3.099
local terms energy: -356.770998
where:
bonds (distance) C4'-P energy: -68.734
bonds (distance) P-C4' energy: -72.048
flat angles C4'-P-C4' energy: -79.104
flat angles P-C4'-P energy: -50.340
tors. eta vs tors. theta energy: -86.545
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: 2, replica: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -902.477937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.477937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.477937 (E_RNA)
where:
Base-Base interactions energy: -573.288
where: short stacking energy: -266.192
Base-Backbone interact. energy: -1.555
local terms energy: -327.634881
where:
bonds (distance) C4'-P energy: -77.791
bonds (distance) P-C4' energy: -63.227
flat angles C4'-P-C4' energy: -81.792
flat angles P-C4'-P energy: -37.426
tors. eta vs tors. theta energy: -67.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -806.365268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.365268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.365268 (E_RNA)
where:
Base-Base interactions energy: -481.832
where: short stacking energy: -257.441
Base-Backbone interact. energy: 0.430
local terms energy: -324.962980
where:
bonds (distance) C4'-P energy: -81.457
bonds (distance) P-C4' energy: -69.188
flat angles C4'-P-C4' energy: -72.175
flat angles P-C4'-P energy: -43.007
tors. eta vs tors. theta energy: -59.137
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: 7
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -830.652356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.652356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.652356 (E_RNA)
where:
Base-Base interactions energy: -507.582
where: short stacking energy: -247.897
Base-Backbone interact. energy: -2.615
local terms energy: -320.454506
where:
bonds (distance) C4'-P energy: -66.479
bonds (distance) P-C4' energy: -76.397
flat angles C4'-P-C4' energy: -72.360
flat angles P-C4'-P energy: -45.102
tors. eta vs tors. theta energy: -60.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -705.069394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.069394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.069394 (E_RNA)
where:
Base-Base interactions energy: -391.208
where: short stacking energy: -213.686
Base-Backbone interact. energy: -0.651
local terms energy: -313.211167
where:
bonds (distance) C4'-P energy: -70.535
bonds (distance) P-C4' energy: -67.546
flat angles C4'-P-C4' energy: -65.669
flat angles P-C4'-P energy: -50.115
tors. eta vs tors. theta energy: -59.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -616.100027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.100027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.100027 (E_RNA)
where:
Base-Base interactions energy: -354.395
where: short stacking energy: -180.602
Base-Backbone interact. energy: 1.721
local terms energy: -263.426333
where:
bonds (distance) C4'-P energy: -50.800
bonds (distance) P-C4' energy: -70.127
flat angles C4'-P-C4' energy: -61.732
flat angles P-C4'-P energy: -44.011
tors. eta vs tors. theta energy: -36.756
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: 6
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -542.932883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.932883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.932883 (E_RNA)
where:
Base-Base interactions energy: -295.819
where: short stacking energy: -162.216
Base-Backbone interact. energy: -0.504
local terms energy: -246.610408
where:
bonds (distance) C4'-P energy: -64.144
bonds (distance) P-C4' energy: -69.979
flat angles C4'-P-C4' energy: -53.575
flat angles P-C4'-P energy: -34.969
tors. eta vs tors. theta energy: -23.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -419.376798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.376798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.376798 (E_RNA)
where:
Base-Base interactions energy: -183.319
where: short stacking energy: -122.172
Base-Backbone interact. energy: 0.022
local terms energy: -236.080044
where:
bonds (distance) C4'-P energy: -64.649
bonds (distance) P-C4' energy: -69.801
flat angles C4'-P-C4' energy: -58.176
flat angles P-C4'-P energy: -30.502
tors. eta vs tors. theta energy: -12.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -335.215840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.215840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.215840 (E_RNA)
where:
Base-Base interactions energy: -131.833
where: short stacking energy: -79.520
Base-Backbone interact. energy: 1.337
local terms energy: -204.719978
where:
bonds (distance) C4'-P energy: -53.401
bonds (distance) P-C4' energy: -66.738
flat angles C4'-P-C4' energy: -50.918
flat angles P-C4'-P energy: -45.460
tors. eta vs tors. theta energy: 11.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -291.762942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.762942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.762942 (E_RNA)
where:
Base-Base interactions energy: -93.431
where: short stacking energy: -64.909
Base-Backbone interact. energy: 1.783
local terms energy: -200.114118
where:
bonds (distance) C4'-P energy: -51.012
bonds (distance) P-C4' energy: -66.723
flat angles C4'-P-C4' energy: -58.706
flat angles P-C4'-P energy: -35.615
tors. eta vs tors. theta energy: 11.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1018.124581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.124581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.124581 (E_RNA)
where:
Base-Base interactions energy: -635.404
where: short stacking energy: -310.435
Base-Backbone interact. energy: -2.236
local terms energy: -380.484671
where:
bonds (distance) C4'-P energy: -76.374
bonds (distance) P-C4' energy: -70.619
flat angles C4'-P-C4' energy: -82.741
flat angles P-C4'-P energy: -56.583
tors. eta vs tors. theta energy: -94.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -898.681139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.681139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.681139 (E_RNA)
where:
Base-Base interactions energy: -552.709
where: short stacking energy: -246.126
Base-Backbone interact. energy: -3.793
local terms energy: -342.179328
where:
bonds (distance) C4'-P energy: -71.570
bonds (distance) P-C4' energy: -72.958
flat angles C4'-P-C4' energy: -76.507
flat angles P-C4'-P energy: -52.987
tors. eta vs tors. theta energy: -68.157
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: 3, replica: 7
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -868.643118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.643118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.643118 (E_RNA)
where:
Base-Base interactions energy: -525.188
where: short stacking energy: -251.349
Base-Backbone interact. energy: -2.339
local terms energy: -341.116445
where:
bonds (distance) C4'-P energy: -78.264
bonds (distance) P-C4' energy: -75.915
flat angles C4'-P-C4' energy: -69.851
flat angles P-C4'-P energy: -55.440
tors. eta vs tors. theta energy: -61.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -769.040804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.040804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.040804 (E_RNA)
where:
Base-Base interactions energy: -462.955
where: short stacking energy: -212.553
Base-Backbone interact. energy: 0.557
local terms energy: -306.642377
where:
bonds (distance) C4'-P energy: -66.022
bonds (distance) P-C4' energy: -77.568
flat angles C4'-P-C4' energy: -69.466
flat angles P-C4'-P energy: -47.335
tors. eta vs tors. theta energy: -46.251
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: 5
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -702.064914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.064914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.064914 (E_RNA)
where:
Base-Base interactions energy: -415.642
where: short stacking energy: -216.457
Base-Backbone interact. energy: 1.094
local terms energy: -287.516518
where:
bonds (distance) C4'-P energy: -70.406
bonds (distance) P-C4' energy: -70.079
flat angles C4'-P-C4' energy: -66.446
flat angles P-C4'-P energy: -33.977
tors. eta vs tors. theta energy: -46.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -634.534259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.534259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.534259 (E_RNA)
where:
Base-Base interactions energy: -365.010
where: short stacking energy: -186.223
Base-Backbone interact. energy: -2.272
local terms energy: -267.251787
where:
bonds (distance) C4'-P energy: -63.022
bonds (distance) P-C4' energy: -68.425
flat angles C4'-P-C4' energy: -63.028
flat angles P-C4'-P energy: -37.630
tors. eta vs tors. theta energy: -35.146
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: 7, replica: 6
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -511.794320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.794320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.794320 (E_RNA)
where:
Base-Base interactions energy: -259.959
where: short stacking energy: -149.620
Base-Backbone interact. energy: 8.352
local terms energy: -260.188076
where:
bonds (distance) C4'-P energy: -71.900
bonds (distance) P-C4' energy: -55.498
flat angles C4'-P-C4' energy: -64.867
flat angles P-C4'-P energy: -39.976
tors. eta vs tors. theta energy: -27.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -417.085654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.085654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.085654 (E_RNA)
where:
Base-Base interactions energy: -194.131
where: short stacking energy: -127.967
Base-Backbone interact. energy: 2.221
local terms energy: -225.175149
where:
bonds (distance) C4'-P energy: -49.176
bonds (distance) P-C4' energy: -54.798
flat angles C4'-P-C4' energy: -50.745
flat angles P-C4'-P energy: -50.310
tors. eta vs tors. theta energy: -20.146
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: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -362.008646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.008646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.008646 (E_RNA)
where:
Base-Base interactions energy: -138.431
where: short stacking energy: -107.427
Base-Backbone interact. energy: -1.993
local terms energy: -221.584425
where:
bonds (distance) C4'-P energy: -69.529
bonds (distance) P-C4' energy: -66.309
flat angles C4'-P-C4' energy: -53.827
flat angles P-C4'-P energy: -35.944
tors. eta vs tors. theta energy: 4.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -315.959270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.959270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.959270 (E_RNA)
where:
Base-Base interactions energy: -111.924
where: short stacking energy: -88.388
Base-Backbone interact. energy: -0.193
local terms energy: -203.842142
where:
bonds (distance) C4'-P energy: -61.354
bonds (distance) P-C4' energy: -52.227
flat angles C4'-P-C4' energy: -62.995
flat angles P-C4'-P energy: -34.499
tors. eta vs tors. theta energy: 7.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1001.095702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.095702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.095702 (E_RNA)
where:
Base-Base interactions energy: -622.973
where: short stacking energy: -322.547
Base-Backbone interact. energy: -1.055
local terms energy: -377.067249
where:
bonds (distance) C4'-P energy: -81.950
bonds (distance) P-C4' energy: -78.065
flat angles C4'-P-C4' energy: -76.206
flat angles P-C4'-P energy: -46.904
tors. eta vs tors. theta energy: -93.943
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: 7
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -981.159423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.159423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.159423 (E_RNA)
where:
Base-Base interactions energy: -637.922
where: short stacking energy: -274.252
Base-Backbone interact. energy: -1.490
local terms energy: -341.747967
where:
bonds (distance) C4'-P energy: -75.607
bonds (distance) P-C4' energy: -78.250
flat angles C4'-P-C4' energy: -78.186
flat angles P-C4'-P energy: -45.867
tors. eta vs tors. theta energy: -63.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -883.860474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.860474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.860474 (E_RNA)
where:
Base-Base interactions energy: -549.397
where: short stacking energy: -267.178
Base-Backbone interact. energy: -2.708
local terms energy: -331.755246
where:
bonds (distance) C4'-P energy: -78.451
bonds (distance) P-C4' energy: -63.429
flat angles C4'-P-C4' energy: -70.221
flat angles P-C4'-P energy: -52.039
tors. eta vs tors. theta energy: -67.615
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: 3
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -763.981778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.981778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.981778 (E_RNA)
where:
Base-Base interactions energy: -480.974
where: short stacking energy: -237.978
Base-Backbone interact. energy: -1.095
local terms energy: -281.912470
where:
bonds (distance) C4'-P energy: -62.402
bonds (distance) P-C4' energy: -69.288
flat angles C4'-P-C4' energy: -64.056
flat angles P-C4'-P energy: -33.358
tors. eta vs tors. theta energy: -52.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -692.046992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.046992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.046992 (E_RNA)
where:
Base-Base interactions energy: -405.163
where: short stacking energy: -187.837
Base-Backbone interact. energy: 1.345
local terms energy: -288.229422
where:
bonds (distance) C4'-P energy: -64.842
bonds (distance) P-C4' energy: -68.159
flat angles C4'-P-C4' energy: -66.970
flat angles P-C4'-P energy: -43.170
tors. eta vs tors. theta energy: -45.090
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: 4
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -616.529863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.529863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.529863 (E_RNA)
where:
Base-Base interactions energy: -339.327
where: short stacking energy: -186.454
Base-Backbone interact. energy: 5.110
local terms energy: -282.312944
where:
bonds (distance) C4'-P energy: -52.612
bonds (distance) P-C4' energy: -72.694
flat angles C4'-P-C4' energy: -68.960
flat angles P-C4'-P energy: -49.619
tors. eta vs tors. theta energy: -38.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -518.054532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.054532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.054532 (E_RNA)
where:
Base-Base interactions energy: -269.949
where: short stacking energy: -142.372
Base-Backbone interact. energy: 1.405
local terms energy: -249.510272
where:
bonds (distance) C4'-P energy: -69.496
bonds (distance) P-C4' energy: -68.717
flat angles C4'-P-C4' energy: -50.613
flat angles P-C4'-P energy: -49.248
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: 8, replica: 9
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -425.224535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.224535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.224535 (E_RNA)
where:
Base-Base interactions energy: -185.250
where: short stacking energy: -103.893
Base-Backbone interact. energy: -1.074
local terms energy: -238.900145
where:
bonds (distance) C4'-P energy: -62.038
bonds (distance) P-C4' energy: -78.198
flat angles C4'-P-C4' energy: -59.246
flat angles P-C4'-P energy: -35.634
tors. eta vs tors. theta energy: -3.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -336.583480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.583480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.583480 (E_RNA)
where:
Base-Base interactions energy: -117.645
where: short stacking energy: -86.476
Base-Backbone interact. energy: 0.395
local terms energy: -219.333846
where:
bonds (distance) C4'-P energy: -71.981
bonds (distance) P-C4' energy: -70.783
flat angles C4'-P-C4' energy: -46.234
flat angles P-C4'-P energy: -31.735
tors. eta vs tors. theta energy: 1.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -316.453147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.453147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.453147 (E_RNA)
where:
Base-Base interactions energy: -136.857
where: short stacking energy: -91.235
Base-Backbone interact. energy: 2.176
local terms energy: -181.772222
where:
bonds (distance) C4'-P energy: -56.452
bonds (distance) P-C4' energy: -50.228
flat angles C4'-P-C4' energy: -54.318
flat angles P-C4'-P energy: -37.512
tors. eta vs tors. theta energy: 16.737
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: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1017.438220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.438220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.438220 (E_RNA)
where:
Base-Base interactions energy: -629.906
where: short stacking energy: -299.670
Base-Backbone interact. energy: -1.919
local terms energy: -385.613042
where:
bonds (distance) C4'-P energy: -79.585
bonds (distance) P-C4' energy: -79.561
flat angles C4'-P-C4' energy: -86.185
flat angles P-C4'-P energy: -53.927
tors. eta vs tors. theta energy: -86.355
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: 16
Temperature: 0.950000
Total energy: -986.236131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.236131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.236131 (E_RNA)
where:
Base-Base interactions energy: -638.019
where: short stacking energy: -295.608
Base-Backbone interact. energy: -1.522
local terms energy: -346.695205
where:
bonds (distance) C4'-P energy: -70.372
bonds (distance) P-C4' energy: -79.310
flat angles C4'-P-C4' energy: -81.101
flat angles P-C4'-P energy: -54.662
tors. eta vs tors. theta energy: -61.251
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: 16
Temperature: 1.000000
Total energy: -890.580785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.580785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.580785 (E_RNA)
where:
Base-Base interactions energy: -573.760
where: short stacking energy: -255.666
Base-Backbone interact. energy: -1.039
local terms energy: -315.781432
where:
bonds (distance) C4'-P energy: -67.425
bonds (distance) P-C4' energy: -74.747
flat angles C4'-P-C4' energy: -66.590
flat angles P-C4'-P energy: -49.307
tors. eta vs tors. theta energy: -57.712
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: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -777.492329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.492329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.492329 (E_RNA)
where:
Base-Base interactions energy: -450.249
where: short stacking energy: -230.618
Base-Backbone interact. energy: -1.347
local terms energy: -325.895896
where:
bonds (distance) C4'-P energy: -65.569
bonds (distance) P-C4' energy: -67.444
flat angles C4'-P-C4' energy: -80.863
flat angles P-C4'-P energy: -47.928
tors. eta vs tors. theta energy: -64.091
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: 16
Temperature: 1.100000
Total energy: -729.390769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.390769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.390769 (E_RNA)
where:
Base-Base interactions energy: -434.376
where: short stacking energy: -217.823
Base-Backbone interact. energy: -2.137
local terms energy: -292.877160
where:
bonds (distance) C4'-P energy: -62.969
bonds (distance) P-C4' energy: -68.424
flat angles C4'-P-C4' energy: -75.216
flat angles P-C4'-P energy: -40.180
tors. eta vs tors. theta energy: -46.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -634.399011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.399011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.399011 (E_RNA)
where:
Base-Base interactions energy: -364.236
where: short stacking energy: -191.831
Base-Backbone interact. energy: -1.562
local terms energy: -268.601175
where:
bonds (distance) C4'-P energy: -58.578
bonds (distance) P-C4' energy: -80.814
flat angles C4'-P-C4' energy: -64.110
flat angles P-C4'-P energy: -30.441
tors. eta vs tors. theta energy: -34.659
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: 7, replica: 6
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -480.403874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.403874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.403874 (E_RNA)
where:
Base-Base interactions energy: -246.931
where: short stacking energy: -133.327
Base-Backbone interact. energy: -0.799
local terms energy: -232.673930
where:
bonds (distance) C4'-P energy: -58.609
bonds (distance) P-C4' energy: -65.925
flat angles C4'-P-C4' energy: -65.638
flat angles P-C4'-P energy: -23.318
tors. eta vs tors. theta energy: -19.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -437.983452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.983452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.983452 (E_RNA)
where:
Base-Base interactions energy: -177.055
where: short stacking energy: -146.297
Base-Backbone interact. energy: 1.924
local terms energy: -262.852303
where:
bonds (distance) C4'-P energy: -70.913
bonds (distance) P-C4' energy: -66.576
flat angles C4'-P-C4' energy: -57.748
flat angles P-C4'-P energy: -43.297
tors. eta vs tors. theta energy: -24.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -299.018420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.018420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.018420 (E_RNA)
where:
Base-Base interactions energy: -78.436
where: short stacking energy: -60.499
Base-Backbone interact. energy: 3.171
local terms energy: -223.754232
where:
bonds (distance) C4'-P energy: -64.520
bonds (distance) P-C4' energy: -72.371
flat angles C4'-P-C4' energy: -59.645
flat angles P-C4'-P energy: -39.759
tors. eta vs tors. theta energy: 12.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -341.288263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.288263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.288263 (E_RNA)
where:
Base-Base interactions energy: -137.881
where: short stacking energy: -79.917
Base-Backbone interact. energy: 0.248
local terms energy: -203.655104
where:
bonds (distance) C4'-P energy: -58.456
bonds (distance) P-C4' energy: -62.958
flat angles C4'-P-C4' energy: -54.920
flat angles P-C4'-P energy: -38.920
tors. eta vs tors. theta energy: 11.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1011.984354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.984354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.984354 (E_RNA)
where:
Base-Base interactions energy: -644.590
where: short stacking energy: -306.430
Base-Backbone interact. energy: -0.492
local terms energy: -366.901995
where:
bonds (distance) C4'-P energy: -69.043
bonds (distance) P-C4' energy: -73.675
flat angles C4'-P-C4' energy: -74.141
flat angles P-C4'-P energy: -59.392
tors. eta vs tors. theta energy: -90.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -988.728058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.728058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.728058 (E_RNA)
where:
Base-Base interactions energy: -643.413
where: short stacking energy: -283.763
Base-Backbone interact. energy: -1.038
local terms energy: -344.277922
where:
bonds (distance) C4'-P energy: -71.281
bonds (distance) P-C4' energy: -71.418
flat angles C4'-P-C4' energy: -72.564
flat angles P-C4'-P energy: -58.552
tors. eta vs tors. theta energy: -70.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -938.233502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.233502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.233502 (E_RNA)
where:
Base-Base interactions energy: -595.217
where: short stacking energy: -278.174
Base-Backbone interact. energy: 1.260
local terms energy: -344.276478
where:
bonds (distance) C4'-P energy: -72.928
bonds (distance) P-C4' energy: -77.736
flat angles C4'-P-C4' energy: -76.396
flat angles P-C4'-P energy: -51.170
tors. eta vs tors. theta energy: -66.047
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: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -799.150383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.150383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.150383 (E_RNA)
where:
Base-Base interactions energy: -494.949
where: short stacking energy: -230.445
Base-Backbone interact. energy: -0.789
local terms energy: -303.412682
where:
bonds (distance) C4'-P energy: -64.449
bonds (distance) P-C4' energy: -61.968
flat angles C4'-P-C4' energy: -72.884
flat angles P-C4'-P energy: -39.730
tors. eta vs tors. theta energy: -64.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -766.114081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.114081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.114081 (E_RNA)
where:
Base-Base interactions energy: -475.192
where: short stacking energy: -240.468
Base-Backbone interact. energy: -3.049
local terms energy: -287.872589
where:
bonds (distance) C4'-P energy: -63.834
bonds (distance) P-C4' energy: -63.704
flat angles C4'-P-C4' energy: -64.210
flat angles P-C4'-P energy: -33.134
tors. eta vs tors. theta energy: -62.991
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: 4
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -657.221504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.221504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.221504 (E_RNA)
where:
Base-Base interactions energy: -352.621
where: short stacking energy: -186.139
Base-Backbone interact. energy: -1.531
local terms energy: -303.069644
where:
bonds (distance) C4'-P energy: -73.292
bonds (distance) P-C4' energy: -70.316
flat angles C4'-P-C4' energy: -70.889
flat angles P-C4'-P energy: -44.450
tors. eta vs tors. theta energy: -44.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -463.791114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.791114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.791114 (E_RNA)
where:
Base-Base interactions energy: -222.279
where: short stacking energy: -152.223
Base-Backbone interact. energy: -0.849
local terms energy: -240.663287
where:
bonds (distance) C4'-P energy: -68.536
bonds (distance) P-C4' energy: -67.242
flat angles C4'-P-C4' energy: -51.706
flat angles P-C4'-P energy: -34.030
tors. eta vs tors. theta energy: -19.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -369.276264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.276264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.276264 (E_RNA)
where:
Base-Base interactions energy: -157.597
where: short stacking energy: -88.470
Base-Backbone interact. energy: -0.608
local terms energy: -211.070596
where:
bonds (distance) C4'-P energy: -55.946
bonds (distance) P-C4' energy: -64.265
flat angles C4'-P-C4' energy: -56.325
flat angles P-C4'-P energy: -39.998
tors. eta vs tors. theta energy: 5.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -328.292769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.292769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.292769 (E_RNA)
where:
Base-Base interactions energy: -119.795
where: short stacking energy: -97.067
Base-Backbone interact. energy: -0.155
local terms energy: -208.343303
where:
bonds (distance) C4'-P energy: -53.768
bonds (distance) P-C4' energy: -72.119
flat angles C4'-P-C4' energy: -46.996
flat angles P-C4'-P energy: -39.317
tors. eta vs tors. theta energy: 3.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -300.230601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.230601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.230601 (E_RNA)
where:
Base-Base interactions energy: -89.120
where: short stacking energy: -76.578
Base-Backbone interact. energy: 0.329
local terms energy: -211.439392
where:
bonds (distance) C4'-P energy: -64.978
bonds (distance) P-C4' energy: -67.215
flat angles C4'-P-C4' energy: -50.036
flat angles P-C4'-P energy: -39.271
tors. eta vs tors. theta energy: 10.061
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: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1037.819248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.819248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.819248 (E_RNA)
where:
Base-Base interactions energy: -663.346
where: short stacking energy: -307.671
Base-Backbone interact. energy: 0.174
local terms energy: -374.647376
where:
bonds (distance) C4'-P energy: -72.959
bonds (distance) P-C4' energy: -83.332
flat angles C4'-P-C4' energy: -76.496
flat angles P-C4'-P energy: -51.855
tors. eta vs tors. theta energy: -90.006
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: 7
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -992.827730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.827730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.827730 (E_RNA)
where:
Base-Base interactions energy: -647.410
where: short stacking energy: -271.547
Base-Backbone interact. energy: -0.482
local terms energy: -344.935723
where:
bonds (distance) C4'-P energy: -80.822
bonds (distance) P-C4' energy: -60.383
flat angles C4'-P-C4' energy: -86.390
flat angles P-C4'-P energy: -52.681
tors. eta vs tors. theta energy: -64.659
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: 2
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -927.288533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.288533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.288533 (E_RNA)
where:
Base-Base interactions energy: -606.552
where: short stacking energy: -262.082
Base-Backbone interact. energy: -0.428
local terms energy: -320.308980
where:
bonds (distance) C4'-P energy: -68.536
bonds (distance) P-C4' energy: -69.486
flat angles C4'-P-C4' energy: -64.846
flat angles P-C4'-P energy: -52.850
tors. eta vs tors. theta energy: -64.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -804.876660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.876660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.876660 (E_RNA)
where:
Base-Base interactions energy: -476.344
where: short stacking energy: -230.787
Base-Backbone interact. energy: -0.197
local terms energy: -328.335081
where:
bonds (distance) C4'-P energy: -56.398
bonds (distance) P-C4' energy: -81.869
flat angles C4'-P-C4' energy: -82.116
flat angles P-C4'-P energy: -51.491
tors. eta vs tors. theta energy: -56.462
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: 5
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -790.593584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.593584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.593584 (E_RNA)
where:
Base-Base interactions energy: -482.346
where: short stacking energy: -239.204
Base-Backbone interact. energy: -0.415
local terms energy: -307.832278
where:
bonds (distance) C4'-P energy: -73.286
bonds (distance) P-C4' energy: -60.204
flat angles C4'-P-C4' energy: -72.498
flat angles P-C4'-P energy: -39.461
tors. eta vs tors. theta energy: -62.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -571.493076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.493076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.493076 (E_RNA)
where:
Base-Base interactions energy: -325.381
where: short stacking energy: -166.821
Base-Backbone interact. energy: 2.341
local terms energy: -248.452928
where:
bonds (distance) C4'-P energy: -60.803
bonds (distance) P-C4' energy: -69.295
flat angles C4'-P-C4' energy: -63.416
flat angles P-C4'-P energy: -40.443
tors. eta vs tors. theta energy: -14.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -501.737841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.737841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.737841 (E_RNA)
where:
Base-Base interactions energy: -252.256
where: short stacking energy: -160.191
Base-Backbone interact. energy: -0.572
local terms energy: -248.909872
where:
bonds (distance) C4'-P energy: -61.275
bonds (distance) P-C4' energy: -67.380
flat angles C4'-P-C4' energy: -51.095
flat angles P-C4'-P energy: -40.618
tors. eta vs tors. theta energy: -28.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -435.882689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.882689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.882689 (E_RNA)
where:
Base-Base interactions energy: -201.333
where: short stacking energy: -130.774
Base-Backbone interact. energy: -0.632
local terms energy: -233.918340
where:
bonds (distance) C4'-P energy: -49.652
bonds (distance) P-C4' energy: -71.043
flat angles C4'-P-C4' energy: -62.441
flat angles P-C4'-P energy: -32.014
tors. eta vs tors. theta energy: -18.768
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: 9, replica: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -312.314115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.314115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.314115 (E_RNA)
where:
Base-Base interactions energy: -116.053
where: short stacking energy: -91.521
Base-Backbone interact. energy: -1.150
local terms energy: -195.110978
where:
bonds (distance) C4'-P energy: -50.493
bonds (distance) P-C4' energy: -73.375
flat angles C4'-P-C4' energy: -51.464
flat angles P-C4'-P energy: -21.216
tors. eta vs tors. theta energy: 1.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -295.011503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.011503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.011503 (E_RNA)
where:
Base-Base interactions energy: -110.856
where: short stacking energy: -89.255
Base-Backbone interact. energy: 2.665
local terms energy: -186.821282
where:
bonds (distance) C4'-P energy: -47.131
bonds (distance) P-C4' energy: -70.843
flat angles C4'-P-C4' energy: -45.841
flat angles P-C4'-P energy: -29.742
tors. eta vs tors. theta energy: 6.736
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: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1088.327529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.327529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.327529 (E_RNA)
where:
Base-Base interactions energy: -699.270
where: short stacking energy: -326.064
Base-Backbone interact. energy: 0.579
local terms energy: -389.637266
where:
bonds (distance) C4'-P energy: -74.147
bonds (distance) P-C4' energy: -76.541
flat angles C4'-P-C4' energy: -85.889
flat angles P-C4'-P energy: -55.602
tors. eta vs tors. theta energy: -97.458
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: 7
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -996.765521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.765521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.765521 (E_RNA)
where:
Base-Base interactions energy: -675.073
where: short stacking energy: -294.263
Base-Backbone interact. energy: -2.382
local terms energy: -319.309982
where:
bonds (distance) C4'-P energy: -68.551
bonds (distance) P-C4' energy: -63.492
flat angles C4'-P-C4' energy: -65.053
flat angles P-C4'-P energy: -50.353
tors. eta vs tors. theta energy: -71.862
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: 19
Temperature: 1.000000
Total energy: -880.061661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.061661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.061661 (E_RNA)
where:
Base-Base interactions energy: -572.036
where: short stacking energy: -237.727
Base-Backbone interact. energy: -1.740
local terms energy: -306.284907
where:
bonds (distance) C4'-P energy: -68.579
bonds (distance) P-C4' energy: -74.267
flat angles C4'-P-C4' energy: -70.180
flat angles P-C4'-P energy: -46.422
tors. eta vs tors. theta energy: -46.838
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: 5
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -862.345650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.345650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.345650 (E_RNA)
where:
Base-Base interactions energy: -556.599
where: short stacking energy: -256.256
Base-Backbone interact. energy: -1.645
local terms energy: -304.101951
where:
bonds (distance) C4'-P energy: -66.208
bonds (distance) P-C4' energy: -66.552
flat angles C4'-P-C4' energy: -74.341
flat angles P-C4'-P energy: -41.416
tors. eta vs tors. theta energy: -55.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -761.749595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.749595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.749595 (E_RNA)
where:
Base-Base interactions energy: -447.999
where: short stacking energy: -206.110
Base-Backbone interact. energy: -2.592
local terms energy: -311.158734
where:
bonds (distance) C4'-P energy: -67.731
bonds (distance) P-C4' energy: -80.084
flat angles C4'-P-C4' energy: -73.905
flat angles P-C4'-P energy: -44.516
tors. eta vs tors. theta energy: -44.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -606.405620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.405620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.405620 (E_RNA)
where:
Base-Base interactions energy: -345.454
where: short stacking energy: -177.659
Base-Backbone interact. energy: -0.680
local terms energy: -260.272579
where:
bonds (distance) C4'-P energy: -60.368
bonds (distance) P-C4' energy: -58.584
flat angles C4'-P-C4' energy: -72.913
flat angles P-C4'-P energy: -39.270
tors. eta vs tors. theta energy: -29.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -459.047547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.047547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.047547 (E_RNA)
where:
Base-Base interactions energy: -244.548
where: short stacking energy: -143.361
Base-Backbone interact. energy: -1.753
local terms energy: -212.747321
where:
bonds (distance) C4'-P energy: -65.823
bonds (distance) P-C4' energy: -70.536
flat angles C4'-P-C4' energy: -39.033
flat angles P-C4'-P energy: -30.244
tors. eta vs tors. theta energy: -7.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -422.733236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.733236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.733236 (E_RNA)
where:
Base-Base interactions energy: -198.274
where: short stacking energy: -109.735
Base-Backbone interact. energy: 2.300
local terms energy: -226.759315
where:
bonds (distance) C4'-P energy: -65.384
bonds (distance) P-C4' energy: -73.776
flat angles C4'-P-C4' energy: -46.324
flat angles P-C4'-P energy: -35.706
tors. eta vs tors. theta energy: -5.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -316.330543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.330543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.330543 (E_RNA)
where:
Base-Base interactions energy: -115.996
where: short stacking energy: -77.904
Base-Backbone interact. energy: -1.006
local terms energy: -199.328303
where:
bonds (distance) C4'-P energy: -60.389
bonds (distance) P-C4' energy: -74.657
flat angles C4'-P-C4' energy: -53.655
flat angles P-C4'-P energy: -29.271
tors. eta vs tors. theta energy: 18.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -283.828049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.828049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.828049 (E_RNA)
where:
Base-Base interactions energy: -105.297
where: short stacking energy: -82.731
Base-Backbone interact. energy: 0.289
local terms energy: -178.820311
where:
bonds (distance) C4'-P energy: -58.253
bonds (distance) P-C4' energy: -48.412
flat angles C4'-P-C4' energy: -50.894
flat angles P-C4'-P energy: -26.140
tors. eta vs tors. theta energy: 4.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1067.473208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.473208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.473208 (E_RNA)
where:
Base-Base interactions energy: -668.308
where: short stacking energy: -302.908
Base-Backbone interact. energy: -1.617
local terms energy: -397.547470
where:
bonds (distance) C4'-P energy: -75.430
bonds (distance) P-C4' energy: -77.419
flat angles C4'-P-C4' energy: -92.181
flat angles P-C4'-P energy: -61.878
tors. eta vs tors. theta energy: -90.640
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: 7
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1001.769705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.769705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.769705 (E_RNA)
where:
Base-Base interactions energy: -657.251
where: short stacking energy: -297.229
Base-Backbone interact. energy: 0.662
local terms energy: -345.180500
where:
bonds (distance) C4'-P energy: -77.045
bonds (distance) P-C4' energy: -69.944
flat angles C4'-P-C4' energy: -74.702
flat angles P-C4'-P energy: -43.055
tors. eta vs tors. theta energy: -80.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -912.334197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.334197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.334197 (E_RNA)
where:
Base-Base interactions energy: -574.486
where: short stacking energy: -252.648
Base-Backbone interact. energy: 0.358
local terms energy: -338.205737
where:
bonds (distance) C4'-P energy: -75.372
bonds (distance) P-C4' energy: -70.711
flat angles C4'-P-C4' energy: -70.584
flat angles P-C4'-P energy: -46.102
tors. eta vs tors. theta energy: -75.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -880.289136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.289136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.289136 (E_RNA)
where:
Base-Base interactions energy: -567.953
where: short stacking energy: -250.102
Base-Backbone interact. energy: -1.109
local terms energy: -311.226818
where:
bonds (distance) C4'-P energy: -64.098
bonds (distance) P-C4' energy: -71.909
flat angles C4'-P-C4' energy: -62.592
flat angles P-C4'-P energy: -51.755
tors. eta vs tors. theta energy: -60.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -746.725381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.725381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.725381 (E_RNA)
where:
Base-Base interactions energy: -454.033
where: short stacking energy: -192.949
Base-Backbone interact. energy: -1.496
local terms energy: -291.196919
where:
bonds (distance) C4'-P energy: -65.365
bonds (distance) P-C4' energy: -64.043
flat angles C4'-P-C4' energy: -67.374
flat angles P-C4'-P energy: -52.449
tors. eta vs tors. theta energy: -41.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -598.892425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.892425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.892425 (E_RNA)
where:
Base-Base interactions energy: -332.867
where: short stacking energy: -164.850
Base-Backbone interact. energy: 0.571
local terms energy: -266.596381
where:
bonds (distance) C4'-P energy: -61.666
bonds (distance) P-C4' energy: -71.538
flat angles C4'-P-C4' energy: -64.991
flat angles P-C4'-P energy: -40.340
tors. eta vs tors. theta energy: -28.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -479.996862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.996862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.996862 (E_RNA)
where:
Base-Base interactions energy: -238.168
where: short stacking energy: -142.251
Base-Backbone interact. energy: 0.886
local terms energy: -242.714600
where:
bonds (distance) C4'-P energy: -60.263
bonds (distance) P-C4' energy: -67.129
flat angles C4'-P-C4' energy: -69.709
flat angles P-C4'-P energy: -33.146
tors. eta vs tors. theta energy: -12.468
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: 6
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -436.608619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.608619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.608619 (E_RNA)
where:
Base-Base interactions energy: -188.239
where: short stacking energy: -124.374
Base-Backbone interact. energy: 3.471
local terms energy: -251.841252
where:
bonds (distance) C4'-P energy: -78.309
bonds (distance) P-C4' energy: -74.347
flat angles C4'-P-C4' energy: -57.478
flat angles P-C4'-P energy: -31.010
tors. eta vs tors. theta energy: -10.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -325.344771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.344771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.344771 (E_RNA)
where:
Base-Base interactions energy: -130.948
where: short stacking energy: -99.106
Base-Backbone interact. energy: -0.379
local terms energy: -194.017813
where:
bonds (distance) C4'-P energy: -58.085
bonds (distance) P-C4' energy: -65.961
flat angles C4'-P-C4' energy: -55.226
flat angles P-C4'-P energy: -24.695
tors. eta vs tors. theta energy: 9.949
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: 8
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -292.872489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.872489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.872489 (E_RNA)
where:
Base-Base interactions energy: -93.500
where: short stacking energy: -75.445
Base-Backbone interact. energy: -0.917
local terms energy: -198.455172
where:
bonds (distance) C4'-P energy: -66.684
bonds (distance) P-C4' energy: -69.530
flat angles C4'-P-C4' energy: -42.260
flat angles P-C4'-P energy: -31.539
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: 1, replica: 1
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1081.202194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.202194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.202194 (E_RNA)
where:
Base-Base interactions energy: -683.625
where: short stacking energy: -330.336
Base-Backbone interact. energy: -3.401
local terms energy: -394.176737
where:
bonds (distance) C4'-P energy: -74.008
bonds (distance) P-C4' energy: -84.190
flat angles C4'-P-C4' energy: -75.354
flat angles P-C4'-P energy: -54.971
tors. eta vs tors. theta energy: -105.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1039.012445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.012445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.012445 (E_RNA)
where:
Base-Base interactions energy: -691.387
where: short stacking energy: -286.155
Base-Backbone interact. energy: 3.439
local terms energy: -351.064798
where:
bonds (distance) C4'-P energy: -70.088
bonds (distance) P-C4' energy: -79.589
flat angles C4'-P-C4' energy: -75.063
flat angles P-C4'-P energy: -53.712
tors. eta vs tors. theta energy: -72.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -902.018994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.018994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.018994 (E_RNA)
where:
Base-Base interactions energy: -578.148
where: short stacking energy: -274.986
Base-Backbone interact. energy: -1.924
local terms energy: -321.947237
where:
bonds (distance) C4'-P energy: -68.728
bonds (distance) P-C4' energy: -67.587
flat angles C4'-P-C4' energy: -72.623
flat angles P-C4'-P energy: -49.978
tors. eta vs tors. theta energy: -63.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -875.383117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.383117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.383117 (E_RNA)
where:
Base-Base interactions energy: -560.171
where: short stacking energy: -229.447
Base-Backbone interact. energy: -2.641
local terms energy: -312.570375
where:
bonds (distance) C4'-P energy: -73.513
bonds (distance) P-C4' energy: -76.152
flat angles C4'-P-C4' energy: -69.555
flat angles P-C4'-P energy: -38.990
tors. eta vs tors. theta energy: -54.360
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: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -732.618226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.618226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.618226 (E_RNA)
where:
Base-Base interactions energy: -424.497
where: short stacking energy: -204.192
Base-Backbone interact. energy: -1.008
local terms energy: -307.113638
where:
bonds (distance) C4'-P energy: -66.645
bonds (distance) P-C4' energy: -71.923
flat angles C4'-P-C4' energy: -70.350
flat angles P-C4'-P energy: -48.037
tors. eta vs tors. theta energy: -50.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -657.148691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.148691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.148691 (E_RNA)
where:
Base-Base interactions energy: -365.490
where: short stacking energy: -175.038
Base-Backbone interact. energy: -2.699
local terms energy: -288.958974
where:
bonds (distance) C4'-P energy: -55.872
bonds (distance) P-C4' energy: -74.860
flat angles C4'-P-C4' energy: -68.044
flat angles P-C4'-P energy: -51.560
tors. eta vs tors. theta energy: -38.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -508.795536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.795536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.795536 (E_RNA)
where:
Base-Base interactions energy: -273.251
where: short stacking energy: -123.469
Base-Backbone interact. energy: -1.618
local terms energy: -233.926598
where:
bonds (distance) C4'-P energy: -58.291
bonds (distance) P-C4' energy: -67.905
flat angles C4'-P-C4' energy: -47.428
flat angles P-C4'-P energy: -36.590
tors. eta vs tors. theta energy: -23.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -481.446834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.446834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.446834 (E_RNA)
where:
Base-Base interactions energy: -231.583
where: short stacking energy: -143.473
Base-Backbone interact. energy: -0.469
local terms energy: -249.394445
where:
bonds (distance) C4'-P energy: -78.488
bonds (distance) P-C4' energy: -54.015
flat angles C4'-P-C4' energy: -56.264
flat angles P-C4'-P energy: -46.761
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: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -330.384635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.384635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.384635 (E_RNA)
where:
Base-Base interactions energy: -128.512
where: short stacking energy: -103.000
Base-Backbone interact. energy: -2.486
local terms energy: -199.386588
where:
bonds (distance) C4'-P energy: -55.051
bonds (distance) P-C4' energy: -60.933
flat angles C4'-P-C4' energy: -51.018
flat angles P-C4'-P energy: -37.882
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: 8
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -283.663416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.663416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.663416 (E_RNA)
where:
Base-Base interactions energy: -116.100
where: short stacking energy: -91.279
Base-Backbone interact. energy: 2.997
local terms energy: -170.559686
where:
bonds (distance) C4'-P energy: -41.196
bonds (distance) P-C4' energy: -48.478
flat angles C4'-P-C4' energy: -59.912
flat angles P-C4'-P energy: -26.917
tors. eta vs tors. theta energy: 5.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1090.052545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.052545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.052545 (E_RNA)
where:
Base-Base interactions energy: -695.909
where: short stacking energy: -343.005
Base-Backbone interact. energy: -0.186
local terms energy: -393.958117
where:
bonds (distance) C4'-P energy: -75.419
bonds (distance) P-C4' energy: -69.510
flat angles C4'-P-C4' energy: -81.601
flat angles P-C4'-P energy: -62.644
tors. eta vs tors. theta energy: -104.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1045.734033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.734033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.734033 (E_RNA)
where:
Base-Base interactions energy: -710.676
where: short stacking energy: -293.086
Base-Backbone interact. energy: -0.998
local terms energy: -334.060462
where:
bonds (distance) C4'-P energy: -76.691
bonds (distance) P-C4' energy: -57.149
flat angles C4'-P-C4' energy: -87.380
flat angles P-C4'-P energy: -41.493
tors. eta vs tors. theta energy: -71.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -952.120368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.120368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.120368 (E_RNA)
where:
Base-Base interactions energy: -620.977
where: short stacking energy: -282.694
Base-Backbone interact. energy: 2.284
local terms energy: -333.427149
where:
bonds (distance) C4'-P energy: -64.369
bonds (distance) P-C4' energy: -76.452
flat angles C4'-P-C4' energy: -77.988
flat angles P-C4'-P energy: -45.636
tors. eta vs tors. theta energy: -68.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -886.218035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.218035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.218035 (E_RNA)
where:
Base-Base interactions energy: -587.329
where: short stacking energy: -235.827
Base-Backbone interact. energy: -1.576
local terms energy: -297.312650
where:
bonds (distance) C4'-P energy: -66.824
bonds (distance) P-C4' energy: -55.756
flat angles C4'-P-C4' energy: -67.396
flat angles P-C4'-P energy: -43.156
tors. eta vs tors. theta energy: -64.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -726.363140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.363140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.363140 (E_RNA)
where:
Base-Base interactions energy: -415.572
where: short stacking energy: -197.369
Base-Backbone interact. energy: 2.452
local terms energy: -313.243566
where:
bonds (distance) C4'-P energy: -70.233
bonds (distance) P-C4' energy: -75.742
flat angles C4'-P-C4' energy: -76.623
flat angles P-C4'-P energy: -46.431
tors. eta vs tors. theta energy: -44.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -645.661266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.661266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.661266 (E_RNA)
where:
Base-Base interactions energy: -373.705
where: short stacking energy: -190.290
Base-Backbone interact. energy: -3.063
local terms energy: -268.893320
where:
bonds (distance) C4'-P energy: -63.101
bonds (distance) P-C4' energy: -55.125
flat angles C4'-P-C4' energy: -60.181
flat angles P-C4'-P energy: -47.738
tors. eta vs tors. theta energy: -42.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -516.132138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.132138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.132138 (E_RNA)
where:
Base-Base interactions energy: -279.138
where: short stacking energy: -144.118
Base-Backbone interact. energy: -0.805
local terms energy: -236.189714
where:
bonds (distance) C4'-P energy: -58.262
bonds (distance) P-C4' energy: -76.330
flat angles C4'-P-C4' energy: -47.563
flat angles P-C4'-P energy: -41.042
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: 8, replica: 6
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -508.538440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.538440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.538440 (E_RNA)
where:
Base-Base interactions energy: -261.291
where: short stacking energy: -129.885
Base-Backbone interact. energy: -2.599
local terms energy: -244.648307
where:
bonds (distance) C4'-P energy: -70.500
bonds (distance) P-C4' energy: -53.363
flat angles C4'-P-C4' energy: -61.099
flat angles P-C4'-P energy: -42.905
tors. eta vs tors. theta energy: -16.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -322.022330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.022330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.022330 (E_RNA)
where:
Base-Base interactions energy: -131.231
where: short stacking energy: -95.361
Base-Backbone interact. energy: 0.087
local terms energy: -190.878784
where:
bonds (distance) C4'-P energy: -48.391
bonds (distance) P-C4' energy: -63.076
flat angles C4'-P-C4' energy: -50.908
flat angles P-C4'-P energy: -34.460
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: 10, replica: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -291.620683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.620683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.620683 (E_RNA)
where:
Base-Base interactions energy: -91.930
where: short stacking energy: -65.905
Base-Backbone interact. energy: -0.519
local terms energy: -199.172217
where:
bonds (distance) C4'-P energy: -71.061
bonds (distance) P-C4' energy: -70.159
flat angles C4'-P-C4' energy: -41.996
flat angles P-C4'-P energy: -27.343
tors. eta vs tors. theta energy: 11.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1088.634586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.634586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.634586 (E_RNA)
where:
Base-Base interactions energy: -720.869
where: short stacking energy: -329.965
Base-Backbone interact. energy: -1.105
local terms energy: -366.660701
where:
bonds (distance) C4'-P energy: -61.564
bonds (distance) P-C4' energy: -72.687
flat angles C4'-P-C4' energy: -72.353
flat angles P-C4'-P energy: -63.638
tors. eta vs tors. theta energy: -96.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1042.545293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.545293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.545293 (E_RNA)
where:
Base-Base interactions energy: -689.054
where: short stacking energy: -284.018
Base-Backbone interact. energy: -1.152
local terms energy: -352.339844
where:
bonds (distance) C4'-P energy: -73.605
bonds (distance) P-C4' energy: -73.548
flat angles C4'-P-C4' energy: -78.581
flat angles P-C4'-P energy: -51.652
tors. eta vs tors. theta energy: -74.954
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: 23
Temperature: 1.000000
Total energy: -947.731252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.731252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.731252 (E_RNA)
where:
Base-Base interactions energy: -609.333
where: short stacking energy: -283.040
Base-Backbone interact. energy: 0.139
local terms energy: -338.537010
where:
bonds (distance) C4'-P energy: -75.470
bonds (distance) P-C4' energy: -78.999
flat angles C4'-P-C4' energy: -73.056
flat angles P-C4'-P energy: -39.458
tors. eta vs tors. theta energy: -71.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -888.351864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.351864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.351864 (E_RNA)
where:
Base-Base interactions energy: -592.723
where: short stacking energy: -256.421
Base-Backbone interact. energy: 3.815
local terms energy: -299.442888
where:
bonds (distance) C4'-P energy: -62.928
bonds (distance) P-C4' energy: -58.877
flat angles C4'-P-C4' energy: -74.069
flat angles P-C4'-P energy: -36.856
tors. eta vs tors. theta energy: -66.713
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: 3
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -714.279736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.279736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.279736 (E_RNA)
where:
Base-Base interactions energy: -425.245
where: short stacking energy: -211.141
Base-Backbone interact. energy: 1.092
local terms energy: -290.127415
where:
bonds (distance) C4'-P energy: -68.151
bonds (distance) P-C4' energy: -72.198
flat angles C4'-P-C4' energy: -69.042
flat angles P-C4'-P energy: -38.454
tors. eta vs tors. theta energy: -42.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -582.946181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.946181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.946181 (E_RNA)
where:
Base-Base interactions energy: -317.571
where: short stacking energy: -148.586
Base-Backbone interact. energy: -0.848
local terms energy: -264.526604
where:
bonds (distance) C4'-P energy: -64.232
bonds (distance) P-C4' energy: -74.226
flat angles C4'-P-C4' energy: -58.625
flat angles P-C4'-P energy: -46.956
tors. eta vs tors. theta energy: -20.487
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: 7, replica: 4
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -525.073408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.073408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.073408 (E_RNA)
where:
Base-Base interactions energy: -295.380
where: short stacking energy: -141.572
Base-Backbone interact. energy: -1.072
local terms energy: -228.621906
where:
bonds (distance) C4'-P energy: -55.498
bonds (distance) P-C4' energy: -62.355
flat angles C4'-P-C4' energy: -56.360
flat angles P-C4'-P energy: -39.317
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: 8, replica: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -493.268958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.268958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.268958 (E_RNA)
where:
Base-Base interactions energy: -299.601
where: short stacking energy: -131.321
Base-Backbone interact. energy: 2.783
local terms energy: -196.451151
where:
bonds (distance) C4'-P energy: -58.429
bonds (distance) P-C4' energy: -60.736
flat angles C4'-P-C4' energy: -57.284
flat angles P-C4'-P energy: -15.289
tors. eta vs tors. theta energy: -4.713
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: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -316.100029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.100029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.100029 (E_RNA)
where:
Base-Base interactions energy: -105.931
where: short stacking energy: -77.421
Base-Backbone interact. energy: 0.187
local terms energy: -210.355468
where:
bonds (distance) C4'-P energy: -67.241
bonds (distance) P-C4' energy: -65.334
flat angles C4'-P-C4' energy: -56.563
flat angles P-C4'-P energy: -30.985
tors. eta vs tors. theta energy: 9.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -305.804299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.804299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.804299 (E_RNA)
where:
Base-Base interactions energy: -88.954
where: short stacking energy: -67.017
Base-Backbone interact. energy: -1.737
local terms energy: -215.113345
where:
bonds (distance) C4'-P energy: -51.538
bonds (distance) P-C4' energy: -76.097
flat angles C4'-P-C4' energy: -59.453
flat angles P-C4'-P energy: -31.186
tors. eta vs tors. theta energy: 3.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1095.246412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.246412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.246412 (E_RNA)
where:
Base-Base interactions energy: -708.705
where: short stacking energy: -346.745
Base-Backbone interact. energy: -1.280
local terms energy: -385.261468
where:
bonds (distance) C4'-P energy: -73.663
bonds (distance) P-C4' energy: -70.723
flat angles C4'-P-C4' energy: -86.576
flat angles P-C4'-P energy: -54.858
tors. eta vs tors. theta energy: -99.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1052.296420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.296420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.296420 (E_RNA)
where:
Base-Base interactions energy: -713.429
where: short stacking energy: -295.617
Base-Backbone interact. energy: 2.009
local terms energy: -340.876126
where:
bonds (distance) C4'-P energy: -56.330
bonds (distance) P-C4' energy: -73.846
flat angles C4'-P-C4' energy: -69.824
flat angles P-C4'-P energy: -61.084
tors. eta vs tors. theta energy: -79.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -943.042452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.042452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.042452 (E_RNA)
where:
Base-Base interactions energy: -620.918
where: short stacking energy: -269.624
Base-Backbone interact. energy: -1.767
local terms energy: -320.357600
where:
bonds (distance) C4'-P energy: -70.954
bonds (distance) P-C4' energy: -58.233
flat angles C4'-P-C4' energy: -67.436
flat angles P-C4'-P energy: -52.177
tors. eta vs tors. theta energy: -71.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -902.142721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.142721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.142721 (E_RNA)
where:
Base-Base interactions energy: -566.846
where: short stacking energy: -269.141
Base-Backbone interact. energy: 1.224
local terms energy: -336.520769
where:
bonds (distance) C4'-P energy: -69.956
bonds (distance) P-C4' energy: -69.323
flat angles C4'-P-C4' energy: -78.389
flat angles P-C4'-P energy: -53.482
tors. eta vs tors. theta energy: -65.370
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: 3
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -679.985524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.985524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.985524 (E_RNA)
where:
Base-Base interactions energy: -410.205
where: short stacking energy: -211.977
Base-Backbone interact. energy: -0.426
local terms energy: -269.354270
where:
bonds (distance) C4'-P energy: -64.807
bonds (distance) P-C4' energy: -68.366
flat angles C4'-P-C4' energy: -70.458
flat angles P-C4'-P energy: -30.436
tors. eta vs tors. theta energy: -35.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -664.248291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.248291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.248291 (E_RNA)
where:
Base-Base interactions energy: -390.299
where: short stacking energy: -194.558
Base-Backbone interact. energy: 0.039
local terms energy: -273.989007
where:
bonds (distance) C4'-P energy: -68.896
bonds (distance) P-C4' energy: -55.391
flat angles C4'-P-C4' energy: -69.322
flat angles P-C4'-P energy: -37.522
tors. eta vs tors. theta energy: -42.859
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: 4
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -547.425845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.425845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.425845 (E_RNA)
where:
Base-Base interactions energy: -300.567
where: short stacking energy: -167.111
Base-Backbone interact. energy: 0.145
local terms energy: -247.004281
where:
bonds (distance) C4'-P energy: -60.994
bonds (distance) P-C4' energy: -65.615
flat angles C4'-P-C4' energy: -65.288
flat angles P-C4'-P energy: -37.251
tors. eta vs tors. theta energy: -17.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -451.618808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.618808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.618808 (E_RNA)
where:
Base-Base interactions energy: -207.754
where: short stacking energy: -123.603
Base-Backbone interact. energy: -2.879
local terms energy: -240.986002
where:
bonds (distance) C4'-P energy: -67.321
bonds (distance) P-C4' energy: -64.133
flat angles C4'-P-C4' energy: -61.705
flat angles P-C4'-P energy: -36.542
tors. eta vs tors. theta energy: -11.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -318.780348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.780348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.780348 (E_RNA)
where:
Base-Base interactions energy: -120.834
where: short stacking energy: -89.384
Base-Backbone interact. energy: -0.767
local terms energy: -197.179362
where:
bonds (distance) C4'-P energy: -51.860
bonds (distance) P-C4' energy: -62.621
flat angles C4'-P-C4' energy: -44.380
flat angles P-C4'-P energy: -39.086
tors. eta vs tors. theta energy: 0.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -382.495019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.495019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.495019 (E_RNA)
where:
Base-Base interactions energy: -176.334
where: short stacking energy: -98.095
Base-Backbone interact. energy: -1.659
local terms energy: -204.501809
where:
bonds (distance) C4'-P energy: -49.571
bonds (distance) P-C4' energy: -64.636
flat angles C4'-P-C4' energy: -63.741
flat angles P-C4'-P energy: -27.881
tors. eta vs tors. theta energy: 1.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1084.548951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.548951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.548951 (E_RNA)
where:
Base-Base interactions energy: -694.635
where: short stacking energy: -309.463
Base-Backbone interact. energy: -0.761
local terms energy: -389.152079
where:
bonds (distance) C4'-P energy: -77.907
bonds (distance) P-C4' energy: -84.610
flat angles C4'-P-C4' energy: -77.603
flat angles P-C4'-P energy: -55.844
tors. eta vs tors. theta energy: -93.188
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: 2, replica: 7
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1044.449762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.449762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.449762 (E_RNA)
where:
Base-Base interactions energy: -708.459
where: short stacking energy: -294.676
Base-Backbone interact. energy: -3.718
local terms energy: -332.272304
where:
bonds (distance) C4'-P energy: -65.950
bonds (distance) P-C4' energy: -82.108
flat angles C4'-P-C4' energy: -59.466
flat angles P-C4'-P energy: -54.382
tors. eta vs tors. theta energy: -70.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -953.411690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.411690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.411690 (E_RNA)
where:
Base-Base interactions energy: -621.076
where: short stacking energy: -264.032
Base-Backbone interact. energy: -1.547
local terms energy: -330.789127
where:
bonds (distance) C4'-P energy: -66.257
bonds (distance) P-C4' energy: -78.174
flat angles C4'-P-C4' energy: -74.763
flat angles P-C4'-P energy: -48.458
tors. eta vs tors. theta energy: -63.138
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: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -888.918426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.918426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.918426 (E_RNA)
where:
Base-Base interactions energy: -582.630
where: short stacking energy: -266.029
Base-Backbone interact. energy: -1.705
local terms energy: -304.583259
where:
bonds (distance) C4'-P energy: -65.504
bonds (distance) P-C4' energy: -66.169
flat angles C4'-P-C4' energy: -77.366
flat angles P-C4'-P energy: -36.116
tors. eta vs tors. theta energy: -59.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -716.356234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.356234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.356234 (E_RNA)
where:
Base-Base interactions energy: -412.995
where: short stacking energy: -193.245
Base-Backbone interact. energy: -1.445
local terms energy: -301.916261
where:
bonds (distance) C4'-P energy: -64.175
bonds (distance) P-C4' energy: -76.801
flat angles C4'-P-C4' energy: -64.300
flat angles P-C4'-P energy: -46.563
tors. eta vs tors. theta energy: -50.078
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: 9
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -685.542228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.542228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.542228 (E_RNA)
where:
Base-Base interactions energy: -427.510
where: short stacking energy: -193.264
Base-Backbone interact. energy: -1.303
local terms energy: -256.728910
where:
bonds (distance) C4'-P energy: -66.337
bonds (distance) P-C4' energy: -55.096
flat angles C4'-P-C4' energy: -77.889
flat angles P-C4'-P energy: -23.052
tors. eta vs tors. theta energy: -34.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -584.177905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.177905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.177905 (E_RNA)
where:
Base-Base interactions energy: -325.710
where: short stacking energy: -174.323
Base-Backbone interact. energy: -0.598
local terms energy: -257.869703
where:
bonds (distance) C4'-P energy: -59.455
bonds (distance) P-C4' energy: -63.613
flat angles C4'-P-C4' energy: -62.870
flat angles P-C4'-P energy: -47.638
tors. eta vs tors. theta energy: -24.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -433.583319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.583319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.583319 (E_RNA)
where:
Base-Base interactions energy: -207.097
where: short stacking energy: -141.687
Base-Backbone interact. energy: -0.598
local terms energy: -225.887579
where:
bonds (distance) C4'-P energy: -53.616
bonds (distance) P-C4' energy: -62.629
flat angles C4'-P-C4' energy: -66.307
flat angles P-C4'-P energy: -36.275
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: 25
Temperature: 1.300000
Total energy: -322.749347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.749347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.749347 (E_RNA)
where:
Base-Base interactions energy: -117.656
where: short stacking energy: -90.682
Base-Backbone interact. energy: 0.162
local terms energy: -205.255589
where:
bonds (distance) C4'-P energy: -59.624
bonds (distance) P-C4' energy: -63.143
flat angles C4'-P-C4' energy: -57.455
flat angles P-C4'-P energy: -22.615
tors. eta vs tors. theta energy: -2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -366.507765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.507765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.507765 (E_RNA)
where:
Base-Base interactions energy: -157.975
where: short stacking energy: -91.726
Base-Backbone interact. energy: -0.484
local terms energy: -208.048567
where:
bonds (distance) C4'-P energy: -62.919
bonds (distance) P-C4' energy: -64.997
flat angles C4'-P-C4' energy: -49.596
flat angles P-C4'-P energy: -34.682
tors. eta vs tors. theta energy: 4.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1099.167216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.167216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.167216 (E_RNA)
where:
Base-Base interactions energy: -728.505
where: short stacking energy: -324.152
Base-Backbone interact. energy: -3.489
local terms energy: -367.173719
where:
bonds (distance) C4'-P energy: -71.468
bonds (distance) P-C4' energy: -67.554
flat angles C4'-P-C4' energy: -82.473
flat angles P-C4'-P energy: -57.335
tors. eta vs tors. theta energy: -88.344
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: 7
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1042.027183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.027183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.027183 (E_RNA)
where:
Base-Base interactions energy: -710.846
where: short stacking energy: -287.037
Base-Backbone interact. energy: -1.979
local terms energy: -329.202159
where:
bonds (distance) C4'-P energy: -69.751
bonds (distance) P-C4' energy: -60.573
flat angles C4'-P-C4' energy: -78.051
flat angles P-C4'-P energy: -48.798
tors. eta vs tors. theta energy: -72.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -954.680499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.680499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.680499 (E_RNA)
where:
Base-Base interactions energy: -603.300
where: short stacking energy: -279.261
Base-Backbone interact. energy: -1.587
local terms energy: -349.793172
where:
bonds (distance) C4'-P energy: -70.091
bonds (distance) P-C4' energy: -70.110
flat angles C4'-P-C4' energy: -81.481
flat angles P-C4'-P energy: -43.848
tors. eta vs tors. theta energy: -84.263
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: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -872.270952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.270952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.270952 (E_RNA)
where:
Base-Base interactions energy: -549.447
where: short stacking energy: -221.839
Base-Backbone interact. energy: -1.932
local terms energy: -320.892003
where:
bonds (distance) C4'-P energy: -76.267
bonds (distance) P-C4' energy: -75.281
flat angles C4'-P-C4' energy: -71.893
flat angles P-C4'-P energy: -41.244
tors. eta vs tors. theta energy: -56.207
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: 3
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -750.282214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.282214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.282214 (E_RNA)
where:
Base-Base interactions energy: -452.968
where: short stacking energy: -200.757
Base-Backbone interact. energy: 0.139
local terms energy: -297.453379
where:
bonds (distance) C4'-P energy: -66.806
bonds (distance) P-C4' energy: -66.148
flat angles C4'-P-C4' energy: -71.606
flat angles P-C4'-P energy: -47.493
tors. eta vs tors. theta energy: -45.400
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: 9
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -773.259173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.259173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.259173 (E_RNA)
where:
Base-Base interactions energy: -477.111
where: short stacking energy: -201.241
Base-Backbone interact. energy: -2.545
local terms energy: -293.603175
where:
bonds (distance) C4'-P energy: -75.487
bonds (distance) P-C4' energy: -65.260
flat angles C4'-P-C4' energy: -68.056
flat angles P-C4'-P energy: -39.326
tors. eta vs tors. theta energy: -45.475
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: 4
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -554.550337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.550337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.550337 (E_RNA)
where:
Base-Base interactions energy: -313.177
where: short stacking energy: -148.637
Base-Backbone interact. energy: 1.959
local terms energy: -243.332128
where:
bonds (distance) C4'-P energy: -65.325
bonds (distance) P-C4' energy: -59.743
flat angles C4'-P-C4' energy: -50.632
flat angles P-C4'-P energy: -40.733
tors. eta vs tors. theta energy: -26.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -489.950928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.950928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.950928 (E_RNA)
where:
Base-Base interactions energy: -257.529
where: short stacking energy: -134.368
Base-Backbone interact. energy: -0.415
local terms energy: -232.006735
where:
bonds (distance) C4'-P energy: -63.359
bonds (distance) P-C4' energy: -59.459
flat angles C4'-P-C4' energy: -56.140
flat angles P-C4'-P energy: -33.751
tors. eta vs tors. theta energy: -19.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -405.015725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.015725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.015725 (E_RNA)
where:
Base-Base interactions energy: -204.938
where: short stacking energy: -116.731
Base-Backbone interact. energy: 0.816
local terms energy: -200.893390
where:
bonds (distance) C4'-P energy: -45.019
bonds (distance) P-C4' energy: -62.596
flat angles C4'-P-C4' energy: -47.341
flat angles P-C4'-P energy: -33.406
tors. eta vs tors. theta energy: -12.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -307.509265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.509265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.509265 (E_RNA)
where:
Base-Base interactions energy: -107.057
where: short stacking energy: -78.562
Base-Backbone interact. energy: -0.502
local terms energy: -199.949928
where:
bonds (distance) C4'-P energy: -52.867
bonds (distance) P-C4' energy: -62.910
flat angles C4'-P-C4' energy: -42.361
flat angles P-C4'-P energy: -46.360
tors. eta vs tors. theta energy: 4.548
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: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1103.583132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.583132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.583132 (E_RNA)
where:
Base-Base interactions energy: -726.929
where: short stacking energy: -350.061
Base-Backbone interact. energy: -0.807
local terms energy: -375.847983
where:
bonds (distance) C4'-P energy: -68.948
bonds (distance) P-C4' energy: -70.502
flat angles C4'-P-C4' energy: -88.142
flat angles P-C4'-P energy: -44.060
tors. eta vs tors. theta energy: -104.196
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: 7
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1073.107374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.107374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.107374 (E_RNA)
where:
Base-Base interactions energy: -714.334
where: short stacking energy: -299.169
Base-Backbone interact. energy: 3.744
local terms energy: -362.517653
where:
bonds (distance) C4'-P energy: -66.927
bonds (distance) P-C4' energy: -83.148
flat angles C4'-P-C4' energy: -73.540
flat angles P-C4'-P energy: -54.906
tors. eta vs tors. theta energy: -83.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -961.037027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.037027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.037027 (E_RNA)
where:
Base-Base interactions energy: -626.663
where: short stacking energy: -274.679
Base-Backbone interact. energy: -2.696
local terms energy: -331.678543
where:
bonds (distance) C4'-P energy: -66.364
bonds (distance) P-C4' energy: -66.435
flat angles C4'-P-C4' energy: -76.606
flat angles P-C4'-P energy: -43.754
tors. eta vs tors. theta energy: -78.520
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: 27
Temperature: 1.050000
Total energy: -862.787682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.787682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.787682 (E_RNA)
where:
Base-Base interactions energy: -563.023
where: short stacking energy: -239.835
Base-Backbone interact. energy: 0.028
local terms energy: -299.791849
where:
bonds (distance) C4'-P energy: -67.182
bonds (distance) P-C4' energy: -65.670
flat angles C4'-P-C4' energy: -65.005
flat angles P-C4'-P energy: -41.351
tors. eta vs tors. theta energy: -60.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -707.172796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.172796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.172796 (E_RNA)
where:
Base-Base interactions energy: -432.700
where: short stacking energy: -202.054
Base-Backbone interact. energy: 0.056
local terms energy: -274.528841
where:
bonds (distance) C4'-P energy: -59.440
bonds (distance) P-C4' energy: -65.977
flat angles C4'-P-C4' energy: -71.405
flat angles P-C4'-P energy: -46.425
tors. eta vs tors. theta energy: -31.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -795.987093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.987093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.987093 (E_RNA)
where:
Base-Base interactions energy: -512.999
where: short stacking energy: -213.596
Base-Backbone interact. energy: -1.366
local terms energy: -281.622250
where:
bonds (distance) C4'-P energy: -72.310
bonds (distance) P-C4' energy: -66.887
flat angles C4'-P-C4' energy: -57.589
flat angles P-C4'-P energy: -39.961
tors. eta vs tors. theta energy: -44.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -638.929731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.929731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.929731 (E_RNA)
where:
Base-Base interactions energy: -373.905
where: short stacking energy: -171.198
Base-Backbone interact. energy: -1.409
local terms energy: -263.616042
where:
bonds (distance) C4'-P energy: -62.883
bonds (distance) P-C4' energy: -58.239
flat angles C4'-P-C4' energy: -64.880
flat angles P-C4'-P energy: -40.323
tors. eta vs tors. theta energy: -37.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -493.532824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.532824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.532824 (E_RNA)
where:
Base-Base interactions energy: -251.189
where: short stacking energy: -154.004
Base-Backbone interact. energy: 0.914
local terms energy: -243.257842
where:
bonds (distance) C4'-P energy: -62.575
bonds (distance) P-C4' energy: -68.790
flat angles C4'-P-C4' energy: -61.199
flat angles P-C4'-P energy: -31.364
tors. eta vs tors. theta energy: -19.329
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: 8
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -449.863153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.863153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.863153 (E_RNA)
where:
Base-Base interactions energy: -222.737
where: short stacking energy: -121.790
Base-Backbone interact. energy: 0.117
local terms energy: -227.243207
where:
bonds (distance) C4'-P energy: -67.751
bonds (distance) P-C4' energy: -68.313
flat angles C4'-P-C4' energy: -63.662
flat angles P-C4'-P energy: -18.178
tors. eta vs tors. theta energy: -9.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -299.958800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.958800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.958800 (E_RNA)
where:
Base-Base interactions energy: -112.909
where: short stacking energy: -94.337
Base-Backbone interact. energy: 3.067
local terms energy: -190.116809
where:
bonds (distance) C4'-P energy: -58.447
bonds (distance) P-C4' energy: -60.783
flat angles C4'-P-C4' energy: -48.789
flat angles P-C4'-P energy: -27.852
tors. eta vs tors. theta energy: 5.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1099.145959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.145959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.145959 (E_RNA)
where:
Base-Base interactions energy: -748.856
where: short stacking energy: -315.180
Base-Backbone interact. energy: -1.571
local terms energy: -348.718871
where:
bonds (distance) C4'-P energy: -73.711
bonds (distance) P-C4' energy: -80.074
flat angles C4'-P-C4' energy: -66.206
flat angles P-C4'-P energy: -42.966
tors. eta vs tors. theta energy: -85.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1072.282003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.282003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.282003 (E_RNA)
where:
Base-Base interactions energy: -700.144
where: short stacking energy: -329.751
Base-Backbone interact. energy: -2.687
local terms energy: -369.450397
where:
bonds (distance) C4'-P energy: -73.190
bonds (distance) P-C4' energy: -70.875
flat angles C4'-P-C4' energy: -73.918
flat angles P-C4'-P energy: -52.787
tors. eta vs tors. theta energy: -98.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -961.138488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.138488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.138488 (E_RNA)
where:
Base-Base interactions energy: -633.016
where: short stacking energy: -279.935
Base-Backbone interact. energy: 0.544
local terms energy: -328.665704
where:
bonds (distance) C4'-P energy: -68.854
bonds (distance) P-C4' energy: -63.143
flat angles C4'-P-C4' energy: -77.913
flat angles P-C4'-P energy: -44.617
tors. eta vs tors. theta energy: -74.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -882.882590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.882590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.882590 (E_RNA)
where:
Base-Base interactions energy: -570.351
where: short stacking energy: -259.431
Base-Backbone interact. energy: -1.857
local terms energy: -310.674359
where:
bonds (distance) C4'-P energy: -71.041
bonds (distance) P-C4' energy: -58.664
flat angles C4'-P-C4' energy: -64.390
flat angles P-C4'-P energy: -49.497
tors. eta vs tors. theta energy: -67.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -710.783651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.783651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.783651 (E_RNA)
where:
Base-Base interactions energy: -453.586
where: short stacking energy: -199.057
Base-Backbone interact. energy: -2.318
local terms energy: -254.879202
where:
bonds (distance) C4'-P energy: -57.440
bonds (distance) P-C4' energy: -74.156
flat angles C4'-P-C4' energy: -58.061
flat angles P-C4'-P energy: -34.264
tors. eta vs tors. theta energy: -30.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -701.269446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.269446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.269446 (E_RNA)
where:
Base-Base interactions energy: -411.688
where: short stacking energy: -211.562
Base-Backbone interact. energy: -0.376
local terms energy: -289.205481
where:
bonds (distance) C4'-P energy: -71.285
bonds (distance) P-C4' energy: -68.326
flat angles C4'-P-C4' energy: -65.888
flat angles P-C4'-P energy: -38.816
tors. eta vs tors. theta energy: -44.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -664.161226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.161226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.161226 (E_RNA)
where:
Base-Base interactions energy: -402.888
where: short stacking energy: -156.477
Base-Backbone interact. energy: 1.172
local terms energy: -262.445428
where:
bonds (distance) C4'-P energy: -71.603
bonds (distance) P-C4' energy: -68.191
flat angles C4'-P-C4' energy: -64.051
flat angles P-C4'-P energy: -40.009
tors. eta vs tors. theta energy: -18.591
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: 6
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -512.082741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.082741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.082741 (E_RNA)
where:
Base-Base interactions energy: -247.536
where: short stacking energy: -135.383
Base-Backbone interact. energy: 0.109
local terms energy: -264.656159
where:
bonds (distance) C4'-P energy: -74.954
bonds (distance) P-C4' energy: -72.218
flat angles C4'-P-C4' energy: -69.122
flat angles P-C4'-P energy: -34.207
tors. eta vs tors. theta energy: -14.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -420.385179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.385179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.385179 (E_RNA)
where:
Base-Base interactions energy: -188.267
where: short stacking energy: -100.657
Base-Backbone interact. energy: -1.463
local terms energy: -230.655069
where:
bonds (distance) C4'-P energy: -65.560
bonds (distance) P-C4' energy: -65.630
flat angles C4'-P-C4' energy: -54.713
flat angles P-C4'-P energy: -34.964
tors. eta vs tors. theta energy: -9.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -292.816472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.816472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.816472 (E_RNA)
where:
Base-Base interactions energy: -97.451
where: short stacking energy: -75.357
Base-Backbone interact. energy: -1.566
local terms energy: -193.799452
where:
bonds (distance) C4'-P energy: -53.241
bonds (distance) P-C4' energy: -66.740
flat angles C4'-P-C4' energy: -60.618
flat angles P-C4'-P energy: -14.643
tors. eta vs tors. theta energy: 1.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1101.272740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.272740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.272740 (E_RNA)
where:
Base-Base interactions energy: -733.770
where: short stacking energy: -323.199
Base-Backbone interact. energy: -0.729
local terms energy: -366.773181
where:
bonds (distance) C4'-P energy: -76.724
bonds (distance) P-C4' energy: -78.363
flat angles C4'-P-C4' energy: -77.867
flat angles P-C4'-P energy: -45.925
tors. eta vs tors. theta energy: -87.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1071.817429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.817429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.817429 (E_RNA)
where:
Base-Base interactions energy: -708.929
where: short stacking energy: -318.731
Base-Backbone interact. energy: -1.263
local terms energy: -361.624689
where:
bonds (distance) C4'-P energy: -68.851
bonds (distance) P-C4' energy: -74.467
flat angles C4'-P-C4' energy: -76.245
flat angles P-C4'-P energy: -52.530
tors. eta vs tors. theta energy: -89.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -938.204240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.204240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.204240 (E_RNA)
where:
Base-Base interactions energy: -608.961
where: short stacking energy: -268.468
Base-Backbone interact. energy: 4.318
local terms energy: -333.561222
where:
bonds (distance) C4'-P energy: -66.598
bonds (distance) P-C4' energy: -75.227
flat angles C4'-P-C4' energy: -78.646
flat angles P-C4'-P energy: -44.226
tors. eta vs tors. theta energy: -68.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -891.828692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.828692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.828692 (E_RNA)
where:
Base-Base interactions energy: -568.210
where: short stacking energy: -270.639
Base-Backbone interact. energy: -1.066
local terms energy: -322.553263
where:
bonds (distance) C4'-P energy: -73.700
bonds (distance) P-C4' energy: -65.168
flat angles C4'-P-C4' energy: -75.626
flat angles P-C4'-P energy: -46.177
tors. eta vs tors. theta energy: -61.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -749.178297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.178297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.178297 (E_RNA)
where:
Base-Base interactions energy: -448.809
where: short stacking energy: -213.367
Base-Backbone interact. energy: -2.571
local terms energy: -297.798455
where:
bonds (distance) C4'-P energy: -71.028
bonds (distance) P-C4' energy: -61.968
flat angles C4'-P-C4' energy: -77.724
flat angles P-C4'-P energy: -34.711
tors. eta vs tors. theta energy: -52.367
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: 6, replica: 3
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -732.869502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.869502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.869502 (E_RNA)
where:
Base-Base interactions energy: -450.469
where: short stacking energy: -198.097
Base-Backbone interact. energy: -1.545
local terms energy: -280.855523
where:
bonds (distance) C4'-P energy: -70.052
bonds (distance) P-C4' energy: -73.604
flat angles C4'-P-C4' energy: -65.218
flat angles P-C4'-P energy: -39.676
tors. eta vs tors. theta energy: -32.306
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: 4
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -688.911527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.911527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.911527 (E_RNA)
where:
Base-Base interactions energy: -435.315
where: short stacking energy: -185.406
Base-Backbone interact. energy: -1.747
local terms energy: -251.850123
where:
bonds (distance) C4'-P energy: -66.208
bonds (distance) P-C4' energy: -66.258
flat angles C4'-P-C4' energy: -60.611
flat angles P-C4'-P energy: -38.037
tors. eta vs tors. theta energy: -20.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -463.105466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.105466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.105466 (E_RNA)
where:
Base-Base interactions energy: -257.610
where: short stacking energy: -145.450
Base-Backbone interact. energy: -0.008
local terms energy: -205.487604
where:
bonds (distance) C4'-P energy: -42.466
bonds (distance) P-C4' energy: -62.784
flat angles C4'-P-C4' energy: -48.311
flat angles P-C4'-P energy: -34.502
tors. eta vs tors. theta energy: -17.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -440.103002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.103002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.103002 (E_RNA)
where:
Base-Base interactions energy: -213.044
where: short stacking energy: -122.408
Base-Backbone interact. energy: 0.418
local terms energy: -227.476606
where:
bonds (distance) C4'-P energy: -60.236
bonds (distance) P-C4' energy: -78.749
flat angles C4'-P-C4' energy: -50.117
flat angles P-C4'-P energy: -36.589
tors. eta vs tors. theta energy: -1.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -308.236516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.236516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.236516 (E_RNA)
where:
Base-Base interactions energy: -97.092
where: short stacking energy: -64.020
Base-Backbone interact. energy: 0.126
local terms energy: -211.269807
where:
bonds (distance) C4'-P energy: -60.363
bonds (distance) P-C4' energy: -70.248
flat angles C4'-P-C4' energy: -57.090
flat angles P-C4'-P energy: -21.801
tors. eta vs tors. theta energy: -1.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1097.531293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.531293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.531293 (E_RNA)
where:
Base-Base interactions energy: -731.839
where: short stacking energy: -312.850
Base-Backbone interact. energy: -2.148
local terms energy: -363.544521
where:
bonds (distance) C4'-P energy: -75.785
bonds (distance) P-C4' energy: -72.728
flat angles C4'-P-C4' energy: -75.419
flat angles P-C4'-P energy: -54.004
tors. eta vs tors. theta energy: -85.609
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: 1
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1074.720123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.720123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.720123 (E_RNA)
where:
Base-Base interactions energy: -706.969
where: short stacking energy: -319.715
Base-Backbone interact. energy: -2.790
local terms energy: -364.960698
where:
bonds (distance) C4'-P energy: -75.962
bonds (distance) P-C4' energy: -71.910
flat angles C4'-P-C4' energy: -83.501
flat angles P-C4'-P energy: -49.031
tors. eta vs tors. theta energy: -84.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -969.245684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.245684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.245684 (E_RNA)
where:
Base-Base interactions energy: -628.353
where: short stacking energy: -272.395
Base-Backbone interact. energy: -0.334
local terms energy: -340.558513
where:
bonds (distance) C4'-P energy: -70.229
bonds (distance) P-C4' energy: -57.349
flat angles C4'-P-C4' energy: -85.705
flat angles P-C4'-P energy: -51.869
tors. eta vs tors. theta energy: -75.406
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: 30
Temperature: 1.050000
Total energy: -924.752363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.752363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.752363 (E_RNA)
where:
Base-Base interactions energy: -608.631
where: short stacking energy: -275.123
Base-Backbone interact. energy: -2.554
local terms energy: -313.567244
where:
bonds (distance) C4'-P energy: -60.095
bonds (distance) P-C4' energy: -64.931
flat angles C4'-P-C4' energy: -73.331
flat angles P-C4'-P energy: -52.075
tors. eta vs tors. theta energy: -63.135
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: 9
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -743.018243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.018243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.018243 (E_RNA)
where:
Base-Base interactions energy: -449.105
where: short stacking energy: -227.917
Base-Backbone interact. energy: 0.528
local terms energy: -294.441013
where:
bonds (distance) C4'-P energy: -72.404
bonds (distance) P-C4' energy: -66.528
flat angles C4'-P-C4' energy: -62.914
flat angles P-C4'-P energy: -41.322
tors. eta vs tors. theta energy: -51.274
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: 30
Temperature: 1.150000
Total energy: -754.127701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.127701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.127701 (E_RNA)
where:
Base-Base interactions energy: -466.172
where: short stacking energy: -217.691
Base-Backbone interact. energy: -3.277
local terms energy: -284.679182
where:
bonds (distance) C4'-P energy: -69.106
bonds (distance) P-C4' energy: -71.571
flat angles C4'-P-C4' energy: -55.559
flat angles P-C4'-P energy: -45.707
tors. eta vs tors. theta energy: -42.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -732.236833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.236833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.236833 (E_RNA)
where:
Base-Base interactions energy: -476.441
where: short stacking energy: -191.484
Base-Backbone interact. energy: 2.166
local terms energy: -257.961606
where:
bonds (distance) C4'-P energy: -57.889
bonds (distance) P-C4' energy: -68.456
flat angles C4'-P-C4' energy: -65.448
flat angles P-C4'-P energy: -32.390
tors. eta vs tors. theta energy: -33.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -469.944074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.944074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.944074 (E_RNA)
where:
Base-Base interactions energy: -232.804
where: short stacking energy: -115.557
Base-Backbone interact. energy: 1.618
local terms energy: -238.758574
where:
bonds (distance) C4'-P energy: -71.351
bonds (distance) P-C4' energy: -73.092
flat angles C4'-P-C4' energy: -58.699
flat angles P-C4'-P energy: -35.373
tors. eta vs tors. theta energy: -0.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -440.026523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.026523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.026523 (E_RNA)
where:
Base-Base interactions energy: -213.471
where: short stacking energy: -119.895
Base-Backbone interact. energy: 3.453
local terms energy: -230.008041
where:
bonds (distance) C4'-P energy: -52.142
bonds (distance) P-C4' energy: -67.086
flat angles C4'-P-C4' energy: -58.734
flat angles P-C4'-P energy: -31.143
tors. eta vs tors. theta energy: -20.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -286.158314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.158314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.158314 (E_RNA)
where:
Base-Base interactions energy: -96.214
where: short stacking energy: -73.995
Base-Backbone interact. energy: -0.133
local terms energy: -189.810748
where:
bonds (distance) C4'-P energy: -69.146
bonds (distance) P-C4' energy: -65.682
flat angles C4'-P-C4' energy: -46.023
flat angles P-C4'-P energy: -24.415
tors. eta vs tors. theta energy: 15.455
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: 7
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1093.980124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.980124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.980124 (E_RNA)
where:
Base-Base interactions energy: -728.942
where: short stacking energy: -305.208
Base-Backbone interact. energy: 3.157
local terms energy: -368.194620
where:
bonds (distance) C4'-P energy: -81.225
bonds (distance) P-C4' energy: -76.772
flat angles C4'-P-C4' energy: -77.528
flat angles P-C4'-P energy: -54.927
tors. eta vs tors. theta energy: -77.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1057.349122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.349122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.349122 (E_RNA)
where:
Base-Base interactions energy: -703.869
where: short stacking energy: -307.474
Base-Backbone interact. energy: -0.716
local terms energy: -352.764095
where:
bonds (distance) C4'-P energy: -61.122
bonds (distance) P-C4' energy: -69.749
flat angles C4'-P-C4' energy: -75.555
flat angles P-C4'-P energy: -55.991
tors. eta vs tors. theta energy: -90.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -939.236313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.236313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.236313 (E_RNA)
where:
Base-Base interactions energy: -618.968
where: short stacking energy: -271.005
Base-Backbone interact. energy: -1.142
local terms energy: -319.126805
where:
bonds (distance) C4'-P energy: -64.010
bonds (distance) P-C4' energy: -62.712
flat angles C4'-P-C4' energy: -77.249
flat angles P-C4'-P energy: -42.040
tors. eta vs tors. theta energy: -73.117
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: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -906.486537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.486537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.486537 (E_RNA)
where:
Base-Base interactions energy: -578.923
where: short stacking energy: -235.280
Base-Backbone interact. energy: -0.691
local terms energy: -326.871774
where:
bonds (distance) C4'-P energy: -73.851
bonds (distance) P-C4' energy: -71.615
flat angles C4'-P-C4' energy: -74.363
flat angles P-C4'-P energy: -50.393
tors. eta vs tors. theta energy: -56.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -753.288654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.288654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.288654 (E_RNA)
where:
Base-Base interactions energy: -453.419
where: short stacking energy: -234.164
Base-Backbone interact. energy: -1.702
local terms energy: -298.168427
where:
bonds (distance) C4'-P energy: -67.266
bonds (distance) P-C4' energy: -71.506
flat angles C4'-P-C4' energy: -54.605
flat angles P-C4'-P energy: -40.311
tors. eta vs tors. theta energy: -64.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -731.380103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.380103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.380103 (E_RNA)
where:
Base-Base interactions energy: -446.192
where: short stacking energy: -216.583
Base-Backbone interact. energy: -1.789
local terms energy: -283.398725
where:
bonds (distance) C4'-P energy: -60.544
bonds (distance) P-C4' energy: -65.812
flat angles C4'-P-C4' energy: -67.219
flat angles P-C4'-P energy: -45.296
tors. eta vs tors. theta energy: -44.527
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: 3
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -684.815608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.815608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.815608 (E_RNA)
where:
Base-Base interactions energy: -419.410
where: short stacking energy: -191.309
Base-Backbone interact. energy: -0.879
local terms energy: -264.526715
where:
bonds (distance) C4'-P energy: -59.813
bonds (distance) P-C4' energy: -64.694
flat angles C4'-P-C4' energy: -68.484
flat angles P-C4'-P energy: -39.187
tors. eta vs tors. theta energy: -32.349
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: 8, replica: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -499.732251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.732251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.732251 (E_RNA)
where:
Base-Base interactions energy: -247.690
where: short stacking energy: -144.356
Base-Backbone interact. energy: -1.721
local terms energy: -250.321861
where:
bonds (distance) C4'-P energy: -73.320
bonds (distance) P-C4' energy: -62.355
flat angles C4'-P-C4' energy: -54.563
flat angles P-C4'-P energy: -39.087
tors. eta vs tors. theta energy: -20.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -387.666573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.666573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.666573 (E_RNA)
where:
Base-Base interactions energy: -179.247
where: short stacking energy: -108.775
Base-Backbone interact. energy: -1.223
local terms energy: -207.197382
where:
bonds (distance) C4'-P energy: -54.221
bonds (distance) P-C4' energy: -72.544
flat angles C4'-P-C4' energy: -54.655
flat angles P-C4'-P energy: -26.691
tors. eta vs tors. theta energy: 0.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -293.618383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.618383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.618383 (E_RNA)
where:
Base-Base interactions energy: -114.621
where: short stacking energy: -83.857
Base-Backbone interact. energy: -0.724
local terms energy: -178.274003
where:
bonds (distance) C4'-P energy: -50.486
bonds (distance) P-C4' energy: -62.938
flat angles C4'-P-C4' energy: -41.702
flat angles P-C4'-P energy: -38.786
tors. eta vs tors. theta energy: 15.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1097.703550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.703550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.703550 (E_RNA)
where:
Base-Base interactions energy: -732.117
where: short stacking energy: -309.393
Base-Backbone interact. energy: -2.049
local terms energy: -363.537937
where:
bonds (distance) C4'-P energy: -79.079
bonds (distance) P-C4' energy: -71.330
flat angles C4'-P-C4' energy: -85.336
flat angles P-C4'-P energy: -52.026
tors. eta vs tors. theta energy: -75.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1047.038126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.038126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.038126 (E_RNA)
where:
Base-Base interactions energy: -690.410
where: short stacking energy: -298.597
Base-Backbone interact. energy: -1.182
local terms energy: -355.445650
where:
bonds (distance) C4'-P energy: -67.215
bonds (distance) P-C4' energy: -73.386
flat angles C4'-P-C4' energy: -75.441
flat angles P-C4'-P energy: -57.347
tors. eta vs tors. theta energy: -82.055
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: 5
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -940.347452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.347452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.347452 (E_RNA)
where:
Base-Base interactions energy: -585.703
where: short stacking energy: -260.873
Base-Backbone interact. energy: -3.099
local terms energy: -351.544900
where:
bonds (distance) C4'-P energy: -74.654
bonds (distance) P-C4' energy: -79.023
flat angles C4'-P-C4' energy: -76.430
flat angles P-C4'-P energy: -48.058
tors. eta vs tors. theta energy: -73.380
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: 2
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -893.983024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.983024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.983024 (E_RNA)
where:
Base-Base interactions energy: -582.631
where: short stacking energy: -251.644
Base-Backbone interact. energy: -1.936
local terms energy: -309.415936
where:
bonds (distance) C4'-P energy: -69.951
bonds (distance) P-C4' energy: -68.233
flat angles C4'-P-C4' energy: -75.185
flat angles P-C4'-P energy: -43.883
tors. eta vs tors. theta energy: -52.163
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: 9
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -802.070049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.070049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.070049 (E_RNA)
where:
Base-Base interactions energy: -493.691
where: short stacking energy: -233.281
Base-Backbone interact. energy: -2.070
local terms energy: -306.309587
where:
bonds (distance) C4'-P energy: -72.826
bonds (distance) P-C4' energy: -70.745
flat angles C4'-P-C4' energy: -66.081
flat angles P-C4'-P energy: -43.041
tors. eta vs tors. theta energy: -53.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -729.700138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.700138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.700138 (E_RNA)
where:
Base-Base interactions energy: -442.312
where: short stacking energy: -201.811
Base-Backbone interact. energy: -1.288
local terms energy: -286.100710
where:
bonds (distance) C4'-P energy: -71.023
bonds (distance) P-C4' energy: -55.388
flat angles C4'-P-C4' energy: -76.780
flat angles P-C4'-P energy: -37.604
tors. eta vs tors. theta energy: -45.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -593.367865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.367865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.367865 (E_RNA)
where:
Base-Base interactions energy: -346.118
where: short stacking energy: -162.628
Base-Backbone interact. energy: -0.864
local terms energy: -246.385785
where:
bonds (distance) C4'-P energy: -65.065
bonds (distance) P-C4' energy: -61.234
flat angles C4'-P-C4' energy: -67.954
flat angles P-C4'-P energy: -30.474
tors. eta vs tors. theta energy: -21.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -503.357321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.357321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.357321 (E_RNA)
where:
Base-Base interactions energy: -256.648
where: short stacking energy: -151.149
Base-Backbone interact. energy: -2.995
local terms energy: -243.714482
where:
bonds (distance) C4'-P energy: -60.161
bonds (distance) P-C4' energy: -62.369
flat angles C4'-P-C4' energy: -65.020
flat angles P-C4'-P energy: -33.361
tors. eta vs tors. theta energy: -22.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -389.973480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.973480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.973480 (E_RNA)
where:
Base-Base interactions energy: -188.256
where: short stacking energy: -103.032
Base-Backbone interact. energy: 0.725
local terms energy: -202.442505
where:
bonds (distance) C4'-P energy: -58.792
bonds (distance) P-C4' energy: -72.191
flat angles C4'-P-C4' energy: -45.429
flat angles P-C4'-P energy: -34.896
tors. eta vs tors. theta energy: 8.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -284.330045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.330045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.330045 (E_RNA)
where:
Base-Base interactions energy: -102.246
where: short stacking energy: -90.549
Base-Backbone interact. energy: 1.456
local terms energy: -183.540089
where:
bonds (distance) C4'-P energy: -64.103
bonds (distance) P-C4' energy: -60.357
flat angles C4'-P-C4' energy: -58.191
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: 6.845
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: 1, replica: 7
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1104.455103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.455103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.455103 (E_RNA)
where:
Base-Base interactions energy: -736.943
where: short stacking energy: -307.731
Base-Backbone interact. energy: -0.660
local terms energy: -366.852594
where:
bonds (distance) C4'-P energy: -78.621
bonds (distance) P-C4' energy: -71.314
flat angles C4'-P-C4' energy: -75.501
flat angles P-C4'-P energy: -57.621
tors. eta vs tors. theta energy: -83.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1005.637571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.637571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.637571 (E_RNA)
where:
Base-Base interactions energy: -648.888
where: short stacking energy: -297.218
Base-Backbone interact. energy: -0.823
local terms energy: -355.925664
where:
bonds (distance) C4'-P energy: -71.574
bonds (distance) P-C4' energy: -66.241
flat angles C4'-P-C4' energy: -85.773
flat angles P-C4'-P energy: -47.131
tors. eta vs tors. theta energy: -85.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1026.570671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.570671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.570671 (E_RNA)
where:
Base-Base interactions energy: -691.646
where: short stacking energy: -321.650
Base-Backbone interact. energy: 0.365
local terms energy: -335.289597
where:
bonds (distance) C4'-P energy: -64.450
bonds (distance) P-C4' energy: -69.282
flat angles C4'-P-C4' energy: -74.304
flat angles P-C4'-P energy: -40.759
tors. eta vs tors. theta energy: -86.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -894.263180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.263180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.263180 (E_RNA)
where:
Base-Base interactions energy: -581.143
where: short stacking energy: -249.291
Base-Backbone interact. energy: -1.896
local terms energy: -311.224501
where:
bonds (distance) C4'-P energy: -54.891
bonds (distance) P-C4' energy: -59.269
flat angles C4'-P-C4' energy: -83.936
flat angles P-C4'-P energy: -54.403
tors. eta vs tors. theta energy: -58.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -880.771288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.771288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.771288 (E_RNA)
where:
Base-Base interactions energy: -555.625
where: short stacking energy: -249.161
Base-Backbone interact. energy: -2.115
local terms energy: -323.030565
where:
bonds (distance) C4'-P energy: -64.474
bonds (distance) P-C4' energy: -66.494
flat angles C4'-P-C4' energy: -73.153
flat angles P-C4'-P energy: -43.570
tors. eta vs tors. theta energy: -75.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -734.853780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.853780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.853780 (E_RNA)
where:
Base-Base interactions energy: -438.989
where: short stacking energy: -225.861
Base-Backbone interact. energy: -1.109
local terms energy: -294.755763
where:
bonds (distance) C4'-P energy: -61.410
bonds (distance) P-C4' energy: -64.424
flat angles C4'-P-C4' energy: -70.650
flat angles P-C4'-P energy: -48.759
tors. eta vs tors. theta energy: -49.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -642.430946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.430946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.430946 (E_RNA)
where:
Base-Base interactions energy: -389.938
where: short stacking energy: -168.356
Base-Backbone interact. energy: -1.314
local terms energy: -251.178673
where:
bonds (distance) C4'-P energy: -54.534
bonds (distance) P-C4' energy: -70.202
flat angles C4'-P-C4' energy: -67.458
flat angles P-C4'-P energy: -41.260
tors. eta vs tors. theta energy: -17.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -554.702037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.702037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.702037 (E_RNA)
where:
Base-Base interactions energy: -304.329
where: short stacking energy: -155.100
Base-Backbone interact. energy: 1.539
local terms energy: -251.912048
where:
bonds (distance) C4'-P energy: -69.508
bonds (distance) P-C4' energy: -61.493
flat angles C4'-P-C4' energy: -62.390
flat angles P-C4'-P energy: -42.095
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: 9, replica: 6
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -408.553985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.553985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.553985 (E_RNA)
where:
Base-Base interactions energy: -189.140
where: short stacking energy: -102.956
Base-Backbone interact. energy: -1.057
local terms energy: -218.356303
where:
bonds (distance) C4'-P energy: -71.063
bonds (distance) P-C4' energy: -56.384
flat angles C4'-P-C4' energy: -58.663
flat angles P-C4'-P energy: -28.263
tors. eta vs tors. theta energy: -3.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -274.881555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.881555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.881555 (E_RNA)
where:
Base-Base interactions energy: -98.530
where: short stacking energy: -85.160
Base-Backbone interact. energy: -0.338
local terms energy: -176.013593
where:
bonds (distance) C4'-P energy: -50.382
bonds (distance) P-C4' energy: -65.780
flat angles C4'-P-C4' energy: -45.076
flat angles P-C4'-P energy: -31.394
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: 1, replica: 7
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1143.801578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.801578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.801578 (E_RNA)
where:
Base-Base interactions energy: -774.689
where: short stacking energy: -307.839
Base-Backbone interact. energy: -0.882
local terms energy: -368.230695
where:
bonds (distance) C4'-P energy: -76.260
bonds (distance) P-C4' energy: -79.294
flat angles C4'-P-C4' energy: -79.712
flat angles P-C4'-P energy: -43.903
tors. eta vs tors. theta energy: -89.062
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: 34
Temperature: 0.950000
Total energy: -1011.120576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.120576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.120576 (E_RNA)
where:
Base-Base interactions energy: -657.460
where: short stacking energy: -298.035
Base-Backbone interact. energy: -2.091
local terms energy: -351.569349
where:
bonds (distance) C4'-P energy: -66.263
bonds (distance) P-C4' energy: -69.702
flat angles C4'-P-C4' energy: -76.876
flat angles P-C4'-P energy: -51.977
tors. eta vs tors. theta energy: -86.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1026.429157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.429157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.429157 (E_RNA)
where:
Base-Base interactions energy: -660.942
where: short stacking energy: -325.114
Base-Backbone interact. energy: -4.361
local terms energy: -361.125988
where:
bonds (distance) C4'-P energy: -66.403
bonds (distance) P-C4' energy: -69.645
flat angles C4'-P-C4' energy: -82.843
flat angles P-C4'-P energy: -44.316
tors. eta vs tors. theta energy: -97.919
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: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -909.869057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.869057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.869057 (E_RNA)
where:
Base-Base interactions energy: -587.746
where: short stacking energy: -236.776
Base-Backbone interact. energy: -1.694
local terms energy: -320.428962
where:
bonds (distance) C4'-P energy: -69.937
bonds (distance) P-C4' energy: -70.460
flat angles C4'-P-C4' energy: -76.300
flat angles P-C4'-P energy: -37.162
tors. eta vs tors. theta energy: -66.570
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: 34
Temperature: 1.100000
Total energy: -858.342404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.342404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.342404 (E_RNA)
where:
Base-Base interactions energy: -543.919
where: short stacking energy: -242.173
Base-Backbone interact. energy: -1.967
local terms energy: -312.456658
where:
bonds (distance) C4'-P energy: -63.880
bonds (distance) P-C4' energy: -78.323
flat angles C4'-P-C4' energy: -58.487
flat angles P-C4'-P energy: -42.584
tors. eta vs tors. theta energy: -69.184
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: 4
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -725.057829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.057829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.057829 (E_RNA)
where:
Base-Base interactions energy: -450.391
where: short stacking energy: -209.284
Base-Backbone interact. energy: 2.534
local terms energy: -277.200867
where:
bonds (distance) C4'-P energy: -54.739
bonds (distance) P-C4' energy: -61.923
flat angles C4'-P-C4' energy: -68.792
flat angles P-C4'-P energy: -50.931
tors. eta vs tors. theta energy: -40.815
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: 8
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -580.855088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.855088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.855088 (E_RNA)
where:
Base-Base interactions energy: -325.929
where: short stacking energy: -184.052
Base-Backbone interact. energy: -1.313
local terms energy: -253.613256
where:
bonds (distance) C4'-P energy: -59.594
bonds (distance) P-C4' energy: -57.139
flat angles C4'-P-C4' energy: -58.645
flat angles P-C4'-P energy: -45.022
tors. eta vs tors. theta energy: -33.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -559.992564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.992564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.992564 (E_RNA)
where:
Base-Base interactions energy: -324.791
where: short stacking energy: -157.911
Base-Backbone interact. energy: -0.617
local terms energy: -234.584773
where:
bonds (distance) C4'-P energy: -56.037
bonds (distance) P-C4' energy: -61.572
flat angles C4'-P-C4' energy: -54.888
flat angles P-C4'-P energy: -42.217
tors. eta vs tors. theta energy: -19.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -393.182334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.182334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.182334 (E_RNA)
where:
Base-Base interactions energy: -169.968
where: short stacking energy: -128.313
Base-Backbone interact. energy: -1.365
local terms energy: -221.849483
where:
bonds (distance) C4'-P energy: -61.953
bonds (distance) P-C4' energy: -66.283
flat angles C4'-P-C4' energy: -47.604
flat angles P-C4'-P energy: -37.030
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: 10, replica: 10
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -302.340302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.340302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.340302 (E_RNA)
where:
Base-Base interactions energy: -90.758
where: short stacking energy: -79.111
Base-Backbone interact. energy: -2.232
local terms energy: -209.349576
where:
bonds (distance) C4'-P energy: -62.222
bonds (distance) P-C4' energy: -65.710
flat angles C4'-P-C4' energy: -56.325
flat angles P-C4'-P energy: -35.659
tors. eta vs tors. theta energy: 10.566
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: 35
Temperature: 0.900000
Total energy: -1135.104456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.104456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.104456 (E_RNA)
where:
Base-Base interactions energy: -749.723
where: short stacking energy: -318.532
Base-Backbone interact. energy: -1.864
local terms energy: -383.516834
where:
bonds (distance) C4'-P energy: -81.865
bonds (distance) P-C4' energy: -77.318
flat angles C4'-P-C4' energy: -87.393
flat angles P-C4'-P energy: -51.987
tors. eta vs tors. theta energy: -84.954
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: 35
Temperature: 0.950000
Total energy: -998.924851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.924851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.924851 (E_RNA)
where:
Base-Base interactions energy: -649.589
where: short stacking energy: -296.831
Base-Backbone interact. energy: -2.027
local terms energy: -347.308949
where:
bonds (distance) C4'-P energy: -69.444
bonds (distance) P-C4' energy: -69.344
flat angles C4'-P-C4' energy: -78.664
flat angles P-C4'-P energy: -44.227
tors. eta vs tors. theta energy: -85.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1006.564343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.564343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.564343 (E_RNA)
where:
Base-Base interactions energy: -651.866
where: short stacking energy: -309.927
Base-Backbone interact. energy: 0.799
local terms energy: -355.497520
where:
bonds (distance) C4'-P energy: -80.004
bonds (distance) P-C4' energy: -58.148
flat angles C4'-P-C4' energy: -80.699
flat angles P-C4'-P energy: -44.445
tors. eta vs tors. theta energy: -92.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -920.229931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.229931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.229931 (E_RNA)
where:
Base-Base interactions energy: -604.047
where: short stacking energy: -251.198
Base-Backbone interact. energy: -2.425
local terms energy: -313.757900
where:
bonds (distance) C4'-P energy: -68.051
bonds (distance) P-C4' energy: -66.228
flat angles C4'-P-C4' energy: -75.166
flat angles P-C4'-P energy: -38.794
tors. eta vs tors. theta energy: -65.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -853.112211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.112211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.112211 (E_RNA)
where:
Base-Base interactions energy: -540.668
where: short stacking energy: -237.959
Base-Backbone interact. energy: -1.715
local terms energy: -310.729279
where:
bonds (distance) C4'-P energy: -47.219
bonds (distance) P-C4' energy: -78.981
flat angles C4'-P-C4' energy: -71.374
flat angles P-C4'-P energy: -56.678
tors. eta vs tors. theta energy: -56.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -688.974648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.974648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.974648 (E_RNA)
where:
Base-Base interactions energy: -430.790
where: short stacking energy: -217.380
Base-Backbone interact. energy: 0.472
local terms energy: -258.656963
where:
bonds (distance) C4'-P energy: -65.450
bonds (distance) P-C4' energy: -60.187
flat angles C4'-P-C4' energy: -62.695
flat angles P-C4'-P energy: -32.245
tors. eta vs tors. theta energy: -38.080
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: 8
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -557.628483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.628483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.628483 (E_RNA)
where:
Base-Base interactions energy: -307.060
where: short stacking energy: -150.595
Base-Backbone interact. energy: -2.356
local terms energy: -248.213038
where:
bonds (distance) C4'-P energy: -67.470
bonds (distance) P-C4' energy: -69.503
flat angles C4'-P-C4' energy: -58.300
flat angles P-C4'-P energy: -35.286
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: 8, replica: 3
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -489.520448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.520448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.520448 (E_RNA)
where:
Base-Base interactions energy: -252.715
where: short stacking energy: -144.584
Base-Backbone interact. energy: -1.008
local terms energy: -235.796670
where:
bonds (distance) C4'-P energy: -61.733
bonds (distance) P-C4' energy: -59.156
flat angles C4'-P-C4' energy: -59.836
flat angles P-C4'-P energy: -40.913
tors. eta vs tors. theta energy: -14.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -309.515608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.515608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.515608 (E_RNA)
where:
Base-Base interactions energy: -100.337
where: short stacking energy: -76.563
Base-Backbone interact. energy: -2.350
local terms energy: -206.828652
where:
bonds (distance) C4'-P energy: -77.512
bonds (distance) P-C4' energy: -53.785
flat angles C4'-P-C4' energy: -60.466
flat angles P-C4'-P energy: -27.582
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: 10, replica: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -304.359748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.359748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.359748 (E_RNA)
where:
Base-Base interactions energy: -96.120
where: short stacking energy: -83.781
Base-Backbone interact. energy: 0.866
local terms energy: -209.106061
where:
bonds (distance) C4'-P energy: -65.930
bonds (distance) P-C4' energy: -47.255
flat angles C4'-P-C4' energy: -59.533
flat angles P-C4'-P energy: -41.859
tors. eta vs tors. theta energy: 5.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1126.430542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.430542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.430542 (E_RNA)
where:
Base-Base interactions energy: -766.611
where: short stacking energy: -315.580
Base-Backbone interact. energy: -2.368
local terms energy: -357.451172
where:
bonds (distance) C4'-P energy: -75.007
bonds (distance) P-C4' energy: -78.956
flat angles C4'-P-C4' energy: -72.750
flat angles P-C4'-P energy: -52.450
tors. eta vs tors. theta energy: -78.289
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: 5
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -991.445971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.445971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.445971 (E_RNA)
where:
Base-Base interactions energy: -623.107
where: short stacking energy: -271.336
Base-Backbone interact. energy: -0.822
local terms energy: -367.517057
where:
bonds (distance) C4'-P energy: -84.367
bonds (distance) P-C4' energy: -75.030
flat angles C4'-P-C4' energy: -76.986
flat angles P-C4'-P energy: -48.898
tors. eta vs tors. theta energy: -82.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -999.970826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.970826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.970826 (E_RNA)
where:
Base-Base interactions energy: -642.795
where: short stacking energy: -310.469
Base-Backbone interact. energy: -1.721
local terms energy: -355.455143
where:
bonds (distance) C4'-P energy: -75.327
bonds (distance) P-C4' energy: -64.240
flat angles C4'-P-C4' energy: -81.296
flat angles P-C4'-P energy: -44.672
tors. eta vs tors. theta energy: -89.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -953.031083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.031083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.031083 (E_RNA)
where:
Base-Base interactions energy: -628.807
where: short stacking energy: -284.425
Base-Backbone interact. energy: -3.314
local terms energy: -320.910203
where:
bonds (distance) C4'-P energy: -64.142
bonds (distance) P-C4' energy: -57.004
flat angles C4'-P-C4' energy: -75.336
flat angles P-C4'-P energy: -52.665
tors. eta vs tors. theta energy: -71.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -860.819541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.819541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.819541 (E_RNA)
where:
Base-Base interactions energy: -541.177
where: short stacking energy: -248.176
Base-Backbone interact. energy: -0.845
local terms energy: -318.797871
where:
bonds (distance) C4'-P energy: -57.602
bonds (distance) P-C4' energy: -74.813
flat angles C4'-P-C4' energy: -67.746
flat angles P-C4'-P energy: -52.966
tors. eta vs tors. theta energy: -65.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -686.839235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.839235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.839235 (E_RNA)
where:
Base-Base interactions energy: -403.910
where: short stacking energy: -215.989
Base-Backbone interact. energy: 1.477
local terms energy: -284.406358
where:
bonds (distance) C4'-P energy: -53.985
bonds (distance) P-C4' energy: -69.251
flat angles C4'-P-C4' energy: -67.377
flat angles P-C4'-P energy: -54.533
tors. eta vs tors. theta energy: -39.260
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: 36
Temperature: 1.200000
Total energy: -545.589738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.589738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.589738 (E_RNA)
where:
Base-Base interactions energy: -287.077
where: short stacking energy: -169.727
Base-Backbone interact. energy: 1.055
local terms energy: -259.567463
where:
bonds (distance) C4'-P energy: -67.308
bonds (distance) P-C4' energy: -75.647
flat angles C4'-P-C4' energy: -61.291
flat angles P-C4'-P energy: -30.435
tors. eta vs tors. theta energy: -24.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -499.982371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.982371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.982371 (E_RNA)
where:
Base-Base interactions energy: -253.506
where: short stacking energy: -128.686
Base-Backbone interact. energy: -1.460
local terms energy: -245.016952
where:
bonds (distance) C4'-P energy: -68.370
bonds (distance) P-C4' energy: -62.939
flat angles C4'-P-C4' energy: -60.421
flat angles P-C4'-P energy: -38.860
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: 9, replica: 10
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -314.133082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.133082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.133082 (E_RNA)
where:
Base-Base interactions energy: -113.097
where: short stacking energy: -99.577
Base-Backbone interact. energy: -0.849
local terms energy: -200.186699
where:
bonds (distance) C4'-P energy: -55.468
bonds (distance) P-C4' energy: -75.807
flat angles C4'-P-C4' energy: -36.446
flat angles P-C4'-P energy: -31.963
tors. eta vs tors. theta energy: -0.503
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: 6
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -335.099432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.099432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.099432 (E_RNA)
where:
Base-Base interactions energy: -107.257
where: short stacking energy: -90.277
Base-Backbone interact. energy: 0.059
local terms energy: -227.901978
where:
bonds (distance) C4'-P energy: -53.515
bonds (distance) P-C4' energy: -72.442
flat angles C4'-P-C4' energy: -59.513
flat angles P-C4'-P energy: -29.683
tors. eta vs tors. theta energy: -12.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1142.462525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.462525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.462525 (E_RNA)
where:
Base-Base interactions energy: -788.442
where: short stacking energy: -331.107
Base-Backbone interact. energy: 2.953
local terms energy: -356.973586
where:
bonds (distance) C4'-P energy: -63.701
bonds (distance) P-C4' energy: -74.313
flat angles C4'-P-C4' energy: -79.539
flat angles P-C4'-P energy: -51.158
tors. eta vs tors. theta energy: -88.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1031.065865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.065865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.065865 (E_RNA)
where:
Base-Base interactions energy: -671.294
where: short stacking energy: -316.042
Base-Backbone interact. energy: -1.299
local terms energy: -358.473320
where:
bonds (distance) C4'-P energy: -68.750
bonds (distance) P-C4' energy: -70.080
flat angles C4'-P-C4' energy: -74.232
flat angles P-C4'-P energy: -53.195
tors. eta vs tors. theta energy: -92.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -983.720254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.720254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.720254 (E_RNA)
where:
Base-Base interactions energy: -641.255
where: short stacking energy: -272.191
Base-Backbone interact. energy: -1.661
local terms energy: -340.804173
where:
bonds (distance) C4'-P energy: -63.752
bonds (distance) P-C4' energy: -70.603
flat angles C4'-P-C4' energy: -77.502
flat angles P-C4'-P energy: -48.985
tors. eta vs tors. theta energy: -79.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -932.260976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.260976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.260976 (E_RNA)
where:
Base-Base interactions energy: -644.821
where: short stacking energy: -255.357
Base-Backbone interact. energy: 0.842
local terms energy: -288.281118
where:
bonds (distance) C4'-P energy: -53.489
bonds (distance) P-C4' energy: -68.083
flat angles C4'-P-C4' energy: -66.829
flat angles P-C4'-P energy: -35.725
tors. eta vs tors. theta energy: -64.155
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: 9
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -884.766896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.766896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.766896 (E_RNA)
where:
Base-Base interactions energy: -571.257
where: short stacking energy: -244.125
Base-Backbone interact. energy: -0.395
local terms energy: -313.115003
where:
bonds (distance) C4'-P energy: -60.982
bonds (distance) P-C4' energy: -69.642
flat angles C4'-P-C4' energy: -71.733
flat angles P-C4'-P energy: -49.371
tors. eta vs tors. theta energy: -61.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -711.216783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.216783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.216783 (E_RNA)
where:
Base-Base interactions energy: -408.965
where: short stacking energy: -196.321
Base-Backbone interact. energy: 2.481
local terms energy: -304.732334
where:
bonds (distance) C4'-P energy: -59.336
bonds (distance) P-C4' energy: -81.872
flat angles C4'-P-C4' energy: -71.626
flat angles P-C4'-P energy: -41.821
tors. eta vs tors. theta energy: -50.076
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: 8
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -499.625889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.625889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.625889 (E_RNA)
where:
Base-Base interactions energy: -263.554
where: short stacking energy: -128.944
Base-Backbone interact. energy: -1.870
local terms energy: -234.201866
where:
bonds (distance) C4'-P energy: -57.187
bonds (distance) P-C4' energy: -63.582
flat angles C4'-P-C4' energy: -61.427
flat angles P-C4'-P energy: -33.118
tors. eta vs tors. theta energy: -18.887
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: 3
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -505.291073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.291073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.291073 (E_RNA)
where:
Base-Base interactions energy: -272.735
where: short stacking energy: -142.426
Base-Backbone interact. energy: 0.156
local terms energy: -232.712670
where:
bonds (distance) C4'-P energy: -66.355
bonds (distance) P-C4' energy: -69.732
flat angles C4'-P-C4' energy: -51.887
flat angles P-C4'-P energy: -27.000
tors. eta vs tors. theta energy: -17.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -308.957885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.957885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.957885 (E_RNA)
where:
Base-Base interactions energy: -103.480
where: short stacking energy: -90.829
Base-Backbone interact. energy: 3.768
local terms energy: -209.246547
where:
bonds (distance) C4'-P energy: -67.045
bonds (distance) P-C4' energy: -51.214
flat angles C4'-P-C4' energy: -48.219
flat angles P-C4'-P energy: -44.603
tors. eta vs tors. theta energy: 1.834
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: 37
Temperature: 1.350000
Total energy: -298.040108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.040108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.040108 (E_RNA)
where:
Base-Base interactions energy: -97.165
where: short stacking energy: -86.472
Base-Backbone interact. energy: 0.226
local terms energy: -201.101590
where:
bonds (distance) C4'-P energy: -55.901
bonds (distance) P-C4' energy: -59.700
flat angles C4'-P-C4' energy: -47.814
flat angles P-C4'-P energy: -43.774
tors. eta vs tors. theta energy: 6.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1146.887872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.887872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.887872 (E_RNA)
where:
Base-Base interactions energy: -794.157
where: short stacking energy: -325.777
Base-Backbone interact. energy: -1.174
local terms energy: -351.556744
where:
bonds (distance) C4'-P energy: -63.400
bonds (distance) P-C4' energy: -71.948
flat angles C4'-P-C4' energy: -81.004
flat angles P-C4'-P energy: -45.090
tors. eta vs tors. theta energy: -90.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1061.109263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.109263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.109263 (E_RNA)
where:
Base-Base interactions energy: -703.195
where: short stacking energy: -334.008
Base-Backbone interact. energy: -1.714
local terms energy: -356.201046
where:
bonds (distance) C4'-P energy: -72.240
bonds (distance) P-C4' energy: -73.247
flat angles C4'-P-C4' energy: -76.124
flat angles P-C4'-P energy: -43.009
tors. eta vs tors. theta energy: -91.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -977.218942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.218942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.218942 (E_RNA)
where:
Base-Base interactions energy: -628.529
where: short stacking energy: -254.619
Base-Backbone interact. energy: -0.886
local terms energy: -347.804136
where:
bonds (distance) C4'-P energy: -76.716
bonds (distance) P-C4' energy: -70.911
flat angles C4'-P-C4' energy: -75.953
flat angles P-C4'-P energy: -54.365
tors. eta vs tors. theta energy: -69.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -951.830198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.830198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.830198 (E_RNA)
where:
Base-Base interactions energy: -630.208
where: short stacking energy: -268.390
Base-Backbone interact. energy: -6.183
local terms energy: -315.439434
where:
bonds (distance) C4'-P energy: -66.648
bonds (distance) P-C4' energy: -68.234
flat angles C4'-P-C4' energy: -63.588
flat angles P-C4'-P energy: -48.125
tors. eta vs tors. theta energy: -68.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -864.434022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.434022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.434022 (E_RNA)
where:
Base-Base interactions energy: -548.378
where: short stacking energy: -249.022
Base-Backbone interact. energy: -1.453
local terms energy: -314.602335
where:
bonds (distance) C4'-P energy: -67.496
bonds (distance) P-C4' energy: -63.374
flat angles C4'-P-C4' energy: -67.858
flat angles P-C4'-P energy: -42.431
tors. eta vs tors. theta energy: -73.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -697.084239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.084239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.084239 (E_RNA)
where:
Base-Base interactions energy: -427.235
where: short stacking energy: -203.186
Base-Backbone interact. energy: -1.340
local terms energy: -268.509578
where:
bonds (distance) C4'-P energy: -63.006
bonds (distance) P-C4' energy: -58.945
flat angles C4'-P-C4' energy: -68.966
flat angles P-C4'-P energy: -36.646
tors. eta vs tors. theta energy: -40.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -521.685105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.685105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.685105 (E_RNA)
where:
Base-Base interactions energy: -248.500
where: short stacking energy: -137.566
Base-Backbone interact. energy: -0.724
local terms energy: -272.460906
where:
bonds (distance) C4'-P energy: -64.218
bonds (distance) P-C4' energy: -73.925
flat angles C4'-P-C4' energy: -67.850
flat angles P-C4'-P energy: -42.263
tors. eta vs tors. theta energy: -24.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -426.990587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.990587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.990587 (E_RNA)
where:
Base-Base interactions energy: -199.656
where: short stacking energy: -127.138
Base-Backbone interact. energy: 2.951
local terms energy: -230.285822
where:
bonds (distance) C4'-P energy: -65.997
bonds (distance) P-C4' energy: -59.969
flat angles C4'-P-C4' energy: -49.372
flat angles P-C4'-P energy: -46.651
tors. eta vs tors. theta energy: -8.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -311.195440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.195440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.195440 (E_RNA)
where:
Base-Base interactions energy: -97.377
where: short stacking energy: -75.532
Base-Backbone interact. energy: 3.374
local terms energy: -217.192398
where:
bonds (distance) C4'-P energy: -56.170
bonds (distance) P-C4' energy: -74.862
flat angles C4'-P-C4' energy: -62.658
flat angles P-C4'-P energy: -27.002
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: 10, replica: 6
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -292.852362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.852362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.852362 (E_RNA)
where:
Base-Base interactions energy: -108.158
where: short stacking energy: -91.025
Base-Backbone interact. energy: -0.504
local terms energy: -184.190258
where:
bonds (distance) C4'-P energy: -35.815
bonds (distance) P-C4' energy: -62.287
flat angles C4'-P-C4' energy: -63.502
flat angles P-C4'-P energy: -28.933
tors. eta vs tors. theta energy: 6.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1143.328102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.328102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.328102 (E_RNA)
where:
Base-Base interactions energy: -782.341
where: short stacking energy: -317.365
Base-Backbone interact. energy: -1.534
local terms energy: -359.453427
where:
bonds (distance) C4'-P energy: -65.361
bonds (distance) P-C4' energy: -78.069
flat angles C4'-P-C4' energy: -78.711
flat angles P-C4'-P energy: -52.228
tors. eta vs tors. theta energy: -85.085
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: 1
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1070.708425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.708425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.708425 (E_RNA)
where:
Base-Base interactions energy: -704.493
where: short stacking energy: -310.207
Base-Backbone interact. energy: -2.762
local terms energy: -363.452871
where:
bonds (distance) C4'-P energy: -69.644
bonds (distance) P-C4' energy: -82.000
flat angles C4'-P-C4' energy: -77.776
flat angles P-C4'-P energy: -39.055
tors. eta vs tors. theta energy: -94.978
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: 39
Temperature: 1.000000
Total energy: -967.816673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.816673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.816673 (E_RNA)
where:
Base-Base interactions energy: -657.037
where: short stacking energy: -281.703
Base-Backbone interact. energy: -2.375
local terms energy: -308.404951
where:
bonds (distance) C4'-P energy: -65.595
bonds (distance) P-C4' energy: -57.313
flat angles C4'-P-C4' energy: -74.388
flat angles P-C4'-P energy: -43.000
tors. eta vs tors. theta energy: -68.109
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: 39
Temperature: 1.050000
Total energy: -969.857097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.857097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.857097 (E_RNA)
where:
Base-Base interactions energy: -636.025
where: short stacking energy: -286.989
Base-Backbone interact. energy: -0.140
local terms energy: -333.691876
where:
bonds (distance) C4'-P energy: -66.281
bonds (distance) P-C4' energy: -64.108
flat angles C4'-P-C4' energy: -74.418
flat angles P-C4'-P energy: -54.639
tors. eta vs tors. theta energy: -74.247
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: 39
Temperature: 1.100000
Total energy: -875.286211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.286211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.286211 (E_RNA)
where:
Base-Base interactions energy: -575.667
where: short stacking energy: -240.978
Base-Backbone interact. energy: -2.976
local terms energy: -296.642996
where:
bonds (distance) C4'-P energy: -51.912
bonds (distance) P-C4' energy: -66.914
flat angles C4'-P-C4' energy: -66.024
flat angles P-C4'-P energy: -51.362
tors. eta vs tors. theta energy: -60.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -710.964740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.964740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.964740 (E_RNA)
where:
Base-Base interactions energy: -443.541
where: short stacking energy: -192.996
Base-Backbone interact. energy: -1.177
local terms energy: -266.246004
where:
bonds (distance) C4'-P energy: -57.662
bonds (distance) P-C4' energy: -68.608
flat angles C4'-P-C4' energy: -62.288
flat angles P-C4'-P energy: -36.080
tors. eta vs tors. theta energy: -41.608
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: 3
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -521.728493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.728493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.728493 (E_RNA)
where:
Base-Base interactions energy: -252.563
where: short stacking energy: -144.297
Base-Backbone interact. energy: -0.855
local terms energy: -268.309840
where:
bonds (distance) C4'-P energy: -48.767
bonds (distance) P-C4' energy: -74.302
flat angles C4'-P-C4' energy: -68.900
flat angles P-C4'-P energy: -49.769
tors. eta vs tors. theta energy: -26.572
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: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -409.710097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.710097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.710097 (E_RNA)
where:
Base-Base interactions energy: -201.743
where: short stacking energy: -121.155
Base-Backbone interact. energy: 0.072
local terms energy: -208.038799
where:
bonds (distance) C4'-P energy: -55.937
bonds (distance) P-C4' energy: -68.932
flat angles C4'-P-C4' energy: -57.803
flat angles P-C4'-P energy: -17.748
tors. eta vs tors. theta energy: -7.619
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: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -324.050100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.050100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.050100 (E_RNA)
where:
Base-Base interactions energy: -105.052
where: short stacking energy: -95.049
Base-Backbone interact. energy: 0.021
local terms energy: -219.018711
where:
bonds (distance) C4'-P energy: -72.428
bonds (distance) P-C4' energy: -69.231
flat angles C4'-P-C4' energy: -59.379
flat angles P-C4'-P energy: -34.740
tors. eta vs tors. theta energy: 16.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -287.691474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.691474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.691474 (E_RNA)
where:
Base-Base interactions energy: -115.880
where: short stacking energy: -91.982
Base-Backbone interact. energy: 5.668
local terms energy: -177.479019
where:
bonds (distance) C4'-P energy: -60.964
bonds (distance) P-C4' energy: -66.012
flat angles C4'-P-C4' energy: -40.434
flat angles P-C4'-P energy: -27.816
tors. eta vs tors. theta energy: 17.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1085.772037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.772037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.772037 (E_RNA)
where:
Base-Base interactions energy: -704.486
where: short stacking energy: -326.189
Base-Backbone interact. energy: -1.735
local terms energy: -379.550990
where:
bonds (distance) C4'-P energy: -77.724
bonds (distance) P-C4' energy: -78.260
flat angles C4'-P-C4' energy: -78.148
flat angles P-C4'-P energy: -53.517
tors. eta vs tors. theta energy: -91.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1126.958539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.958539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.958539 (E_RNA)
where:
Base-Base interactions energy: -767.380
where: short stacking energy: -319.498
Base-Backbone interact. energy: -0.687
local terms energy: -358.891798
where:
bonds (distance) C4'-P energy: -74.280
bonds (distance) P-C4' energy: -78.945
flat angles C4'-P-C4' energy: -70.405
flat angles P-C4'-P energy: -53.383
tors. eta vs tors. theta energy: -81.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1006.424103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.424103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.424103 (E_RNA)
where:
Base-Base interactions energy: -660.045
where: short stacking energy: -280.395
Base-Backbone interact. energy: -1.804
local terms energy: -344.575889
where:
bonds (distance) C4'-P energy: -78.118
bonds (distance) P-C4' energy: -75.922
flat angles C4'-P-C4' energy: -71.113
flat angles P-C4'-P energy: -47.256
tors. eta vs tors. theta energy: -72.167
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: 5
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -987.476386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.476386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.476386 (E_RNA)
where:
Base-Base interactions energy: -652.464
where: short stacking energy: -282.165
Base-Backbone interact. energy: -2.284
local terms energy: -332.728388
where:
bonds (distance) C4'-P energy: -51.346
bonds (distance) P-C4' energy: -71.596
flat angles C4'-P-C4' energy: -83.458
flat angles P-C4'-P energy: -43.702
tors. eta vs tors. theta energy: -82.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -906.726184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.726184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.726184 (E_RNA)
where:
Base-Base interactions energy: -580.950
where: short stacking energy: -270.029
Base-Backbone interact. energy: -3.244
local terms energy: -322.532376
where:
bonds (distance) C4'-P energy: -67.235
bonds (distance) P-C4' energy: -79.662
flat angles C4'-P-C4' energy: -71.612
flat angles P-C4'-P energy: -50.145
tors. eta vs tors. theta energy: -53.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -722.586496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.586496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.586496 (E_RNA)
where:
Base-Base interactions energy: -454.537
where: short stacking energy: -207.929
Base-Backbone interact. energy: 0.993
local terms energy: -269.042496
where:
bonds (distance) C4'-P energy: -69.438
bonds (distance) P-C4' energy: -69.726
flat angles C4'-P-C4' energy: -57.312
flat angles P-C4'-P energy: -33.669
tors. eta vs tors. theta energy: -38.897
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: 3
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -550.588514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.588514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.588514 (E_RNA)
where:
Base-Base interactions energy: -290.835
where: short stacking energy: -149.720
Base-Backbone interact. energy: -2.326
local terms energy: -257.427413
where:
bonds (distance) C4'-P energy: -59.726
bonds (distance) P-C4' energy: -77.214
flat angles C4'-P-C4' energy: -56.589
flat angles P-C4'-P energy: -42.546
tors. eta vs tors. theta energy: -21.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -393.176502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.176502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.176502 (E_RNA)
where:
Base-Base interactions energy: -181.814
where: short stacking energy: -120.558
Base-Backbone interact. energy: -1.966
local terms energy: -209.397075
where:
bonds (distance) C4'-P energy: -64.843
bonds (distance) P-C4' energy: -68.510
flat angles C4'-P-C4' energy: -44.991
flat angles P-C4'-P energy: -35.892
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: 9, replica: 6
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -321.132988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.132988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.132988 (E_RNA)
where:
Base-Base interactions energy: -124.546
where: short stacking energy: -93.157
Base-Backbone interact. energy: 0.820
local terms energy: -197.407322
where:
bonds (distance) C4'-P energy: -58.876
bonds (distance) P-C4' energy: -51.326
flat angles C4'-P-C4' energy: -50.735
flat angles P-C4'-P energy: -28.319
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: 10, replica: 10
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -318.182473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.182473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.182473 (E_RNA)
where:
Base-Base interactions energy: -100.345
where: short stacking energy: -73.464
Base-Backbone interact. energy: 3.202
local terms energy: -221.039308
where:
bonds (distance) C4'-P energy: -72.726
bonds (distance) P-C4' energy: -64.426
flat angles C4'-P-C4' energy: -55.310
flat angles P-C4'-P energy: -40.380
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: 1, replica: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1103.748097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.748097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.748097 (E_RNA)
where:
Base-Base interactions energy: -731.772
where: short stacking energy: -340.608
Base-Backbone interact. energy: -0.533
local terms energy: -371.442812
where:
bonds (distance) C4'-P energy: -71.128
bonds (distance) P-C4' energy: -72.343
flat angles C4'-P-C4' energy: -81.784
flat angles P-C4'-P energy: -46.425
tors. eta vs tors. theta energy: -99.763
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: 7
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1085.958606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.958606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.958606 (E_RNA)
where:
Base-Base interactions energy: -722.370
where: short stacking energy: -312.701
Base-Backbone interact. energy: -1.905
local terms energy: -361.683244
where:
bonds (distance) C4'-P energy: -70.430
bonds (distance) P-C4' energy: -76.763
flat angles C4'-P-C4' energy: -78.577
flat angles P-C4'-P energy: -59.248
tors. eta vs tors. theta energy: -76.665
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: 3, replica: 2
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -989.508001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.508001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.508001 (E_RNA)
where:
Base-Base interactions energy: -681.173
where: short stacking energy: -282.806
Base-Backbone interact. energy: -4.053
local terms energy: -304.281521
where:
bonds (distance) C4'-P energy: -63.084
bonds (distance) P-C4' energy: -69.189
flat angles C4'-P-C4' energy: -55.628
flat angles P-C4'-P energy: -47.140
tors. eta vs tors. theta energy: -69.240
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: 41
Temperature: 1.050000
Total energy: -985.670834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.670834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.670834 (E_RNA)
where:
Base-Base interactions energy: -664.242
where: short stacking energy: -269.961
Base-Backbone interact. energy: -0.058
local terms energy: -321.370120
where:
bonds (distance) C4'-P energy: -62.374
bonds (distance) P-C4' energy: -64.117
flat angles C4'-P-C4' energy: -72.962
flat angles P-C4'-P energy: -50.103
tors. eta vs tors. theta energy: -71.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -877.691907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.691907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.691907 (E_RNA)
where:
Base-Base interactions energy: -566.168
where: short stacking energy: -260.871
Base-Backbone interact. energy: 2.828
local terms energy: -314.352015
where:
bonds (distance) C4'-P energy: -64.783
bonds (distance) P-C4' energy: -73.927
flat angles C4'-P-C4' energy: -65.388
flat angles P-C4'-P energy: -44.317
tors. eta vs tors. theta energy: -65.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -712.971190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.971190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.971190 (E_RNA)
where:
Base-Base interactions energy: -427.480
where: short stacking energy: -206.345
Base-Backbone interact. energy: -2.158
local terms energy: -283.333333
where:
bonds (distance) C4'-P energy: -74.910
bonds (distance) P-C4' energy: -67.813
flat angles C4'-P-C4' energy: -54.788
flat angles P-C4'-P energy: -46.634
tors. eta vs tors. theta energy: -39.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -559.489717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.489717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.489717 (E_RNA)
where:
Base-Base interactions energy: -288.228
where: short stacking energy: -160.136
Base-Backbone interact. energy: -0.264
local terms energy: -270.997160
where:
bonds (distance) C4'-P energy: -68.110
bonds (distance) P-C4' energy: -76.271
flat angles C4'-P-C4' energy: -75.348
flat angles P-C4'-P energy: -32.396
tors. eta vs tors. theta energy: -18.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -483.006370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.006370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.006370 (E_RNA)
where:
Base-Base interactions energy: -240.800
where: short stacking energy: -142.216
Base-Backbone interact. energy: -2.600
local terms energy: -239.605740
where:
bonds (distance) C4'-P energy: -74.025
bonds (distance) P-C4' energy: -55.050
flat angles C4'-P-C4' energy: -55.072
flat angles P-C4'-P energy: -35.454
tors. eta vs tors. theta energy: -20.006
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: 6
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -343.651672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.651672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.651672 (E_RNA)
where:
Base-Base interactions energy: -132.858
where: short stacking energy: -104.459
Base-Backbone interact. energy: -2.113
local terms energy: -208.681440
where:
bonds (distance) C4'-P energy: -57.292
bonds (distance) P-C4' energy: -68.633
flat angles C4'-P-C4' energy: -47.710
flat angles P-C4'-P energy: -35.199
tors. eta vs tors. theta energy: 0.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -302.100675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.100675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.100675 (E_RNA)
where:
Base-Base interactions energy: -106.585
where: short stacking energy: -64.611
Base-Backbone interact. energy: -0.927
local terms energy: -194.588981
where:
bonds (distance) C4'-P energy: -58.028
bonds (distance) P-C4' energy: -70.591
flat angles C4'-P-C4' energy: -46.857
flat angles P-C4'-P energy: -26.933
tors. eta vs tors. theta energy: 7.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1120.465388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.465388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.465388 (E_RNA)
where:
Base-Base interactions energy: -715.549
where: short stacking energy: -346.397
Base-Backbone interact. energy: -0.001
local terms energy: -404.915747
where:
bonds (distance) C4'-P energy: -77.973
bonds (distance) P-C4' energy: -81.983
flat angles C4'-P-C4' energy: -83.105
flat angles P-C4'-P energy: -50.231
tors. eta vs tors. theta energy: -111.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1088.381991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.381991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.381991 (E_RNA)
where:
Base-Base interactions energy: -738.795
where: short stacking energy: -285.935
Base-Backbone interact. energy: -1.769
local terms energy: -347.818336
where:
bonds (distance) C4'-P energy: -71.980
bonds (distance) P-C4' energy: -75.255
flat angles C4'-P-C4' energy: -81.467
flat angles P-C4'-P energy: -42.177
tors. eta vs tors. theta energy: -76.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1005.917912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.917912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.917912 (E_RNA)
where:
Base-Base interactions energy: -673.218
where: short stacking energy: -294.117
Base-Backbone interact. energy: -2.184
local terms energy: -330.516439
where:
bonds (distance) C4'-P energy: -68.896
bonds (distance) P-C4' energy: -65.166
flat angles C4'-P-C4' energy: -72.362
flat angles P-C4'-P energy: -44.536
tors. eta vs tors. theta energy: -79.557
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: 2
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -967.681443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.681443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.681443 (E_RNA)
where:
Base-Base interactions energy: -646.397
where: short stacking energy: -275.656
Base-Backbone interact. energy: -4.045
local terms energy: -317.239260
where:
bonds (distance) C4'-P energy: -73.730
bonds (distance) P-C4' energy: -61.849
flat angles C4'-P-C4' energy: -77.069
flat angles P-C4'-P energy: -43.285
tors. eta vs tors. theta energy: -61.306
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: 9
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -875.546781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.546781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.546781 (E_RNA)
where:
Base-Base interactions energy: -556.428
where: short stacking energy: -241.302
Base-Backbone interact. energy: -3.392
local terms energy: -315.727618
where:
bonds (distance) C4'-P energy: -73.020
bonds (distance) P-C4' energy: -70.873
flat angles C4'-P-C4' energy: -70.213
flat angles P-C4'-P energy: -39.594
tors. eta vs tors. theta energy: -62.028
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: 6, replica: 4
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -708.573424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.573424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.573424 (E_RNA)
where:
Base-Base interactions energy: -419.512
where: short stacking energy: -207.842
Base-Backbone interact. energy: -0.222
local terms energy: -288.839048
where:
bonds (distance) C4'-P energy: -58.555
bonds (distance) P-C4' energy: -70.875
flat angles C4'-P-C4' energy: -73.050
flat angles P-C4'-P energy: -40.117
tors. eta vs tors. theta energy: -46.242
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: 3
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -587.488449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.488449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.488449 (E_RNA)
where:
Base-Base interactions energy: -323.812
where: short stacking energy: -183.925
Base-Backbone interact. energy: -2.544
local terms energy: -261.132446
where:
bonds (distance) C4'-P energy: -70.160
bonds (distance) P-C4' energy: -50.293
flat angles C4'-P-C4' energy: -67.744
flat angles P-C4'-P energy: -35.999
tors. eta vs tors. theta energy: -36.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -495.073117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.073117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.073117 (E_RNA)
where:
Base-Base interactions energy: -251.822
where: short stacking energy: -149.480
Base-Backbone interact. energy: -0.775
local terms energy: -242.475915
where:
bonds (distance) C4'-P energy: -54.799
bonds (distance) P-C4' energy: -68.769
flat angles C4'-P-C4' energy: -66.001
flat angles P-C4'-P energy: -35.305
tors. eta vs tors. theta energy: -17.603
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: 42
Temperature: 1.300000
Total energy: -334.296471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.296471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.296471 (E_RNA)
where:
Base-Base interactions energy: -140.391
where: short stacking energy: -109.712
Base-Backbone interact. energy: 2.222
local terms energy: -196.126897
where:
bonds (distance) C4'-P energy: -44.862
bonds (distance) P-C4' energy: -59.717
flat angles C4'-P-C4' energy: -58.915
flat angles P-C4'-P energy: -38.263
tors. eta vs tors. theta energy: 5.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -333.099906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.099906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.099906 (E_RNA)
where:
Base-Base interactions energy: -119.630
where: short stacking energy: -99.451
Base-Backbone interact. energy: 4.185
local terms energy: -217.654324
where:
bonds (distance) C4'-P energy: -56.702
bonds (distance) P-C4' energy: -65.117
flat angles C4'-P-C4' energy: -50.983
flat angles P-C4'-P energy: -41.064
tors. eta vs tors. theta energy: -3.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1108.894684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.894684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.894684 (E_RNA)
where:
Base-Base interactions energy: -723.842
where: short stacking energy: -329.175
Base-Backbone interact. energy: 0.316
local terms energy: -385.368499
where:
bonds (distance) C4'-P energy: -71.580
bonds (distance) P-C4' energy: -80.912
flat angles C4'-P-C4' energy: -78.617
flat angles P-C4'-P energy: -56.167
tors. eta vs tors. theta energy: -98.092
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: 7
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1118.990344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.990344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.990344 (E_RNA)
where:
Base-Base interactions energy: -761.412
where: short stacking energy: -315.415
Base-Backbone interact. energy: -0.037
local terms energy: -357.541195
where:
bonds (distance) C4'-P energy: -75.586
bonds (distance) P-C4' energy: -73.853
flat angles C4'-P-C4' energy: -69.889
flat angles P-C4'-P energy: -53.137
tors. eta vs tors. theta energy: -85.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1054.560256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.560256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.560256 (E_RNA)
where:
Base-Base interactions energy: -702.183
where: short stacking energy: -286.362
Base-Backbone interact. energy: -1.424
local terms energy: -350.953133
where:
bonds (distance) C4'-P energy: -65.882
bonds (distance) P-C4' energy: -74.136
flat angles C4'-P-C4' energy: -83.549
flat angles P-C4'-P energy: -45.336
tors. eta vs tors. theta energy: -82.051
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: 9
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -925.749151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.749151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.749151 (E_RNA)
where:
Base-Base interactions energy: -592.809
where: short stacking energy: -282.158
Base-Backbone interact. energy: -0.995
local terms energy: -331.945034
where:
bonds (distance) C4'-P energy: -60.164
bonds (distance) P-C4' energy: -65.901
flat angles C4'-P-C4' energy: -77.438
flat angles P-C4'-P energy: -42.644
tors. eta vs tors. theta energy: -85.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -937.526095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.526095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.526095 (E_RNA)
where:
Base-Base interactions energy: -647.771
where: short stacking energy: -254.325
Base-Backbone interact. energy: -1.009
local terms energy: -288.746751
where:
bonds (distance) C4'-P energy: -63.180
bonds (distance) P-C4' energy: -62.407
flat angles C4'-P-C4' energy: -71.177
flat angles P-C4'-P energy: -32.592
tors. eta vs tors. theta energy: -59.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -713.903599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.903599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.903599 (E_RNA)
where:
Base-Base interactions energy: -420.457
where: short stacking energy: -219.045
Base-Backbone interact. energy: -2.397
local terms energy: -291.049631
where:
bonds (distance) C4'-P energy: -62.685
bonds (distance) P-C4' energy: -67.196
flat angles C4'-P-C4' energy: -66.003
flat angles P-C4'-P energy: -42.372
tors. eta vs tors. theta energy: -52.794
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: 3
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -557.635422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.635422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.635422 (E_RNA)
where:
Base-Base interactions energy: -294.967
where: short stacking energy: -151.257
Base-Backbone interact. energy: -0.662
local terms energy: -262.006670
where:
bonds (distance) C4'-P energy: -67.589
bonds (distance) P-C4' energy: -64.659
flat angles C4'-P-C4' energy: -65.398
flat angles P-C4'-P energy: -39.648
tors. eta vs tors. theta energy: -24.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -495.083376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.083376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.083376 (E_RNA)
where:
Base-Base interactions energy: -263.821
where: short stacking energy: -136.181
Base-Backbone interact. energy: 0.905
local terms energy: -232.166996
where:
bonds (distance) C4'-P energy: -54.785
bonds (distance) P-C4' energy: -70.959
flat angles C4'-P-C4' energy: -48.459
flat angles P-C4'-P energy: -38.163
tors. eta vs tors. theta energy: -19.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -305.372590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.372590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.372590 (E_RNA)
where:
Base-Base interactions energy: -107.225
where: short stacking energy: -99.809
Base-Backbone interact. energy: -1.729
local terms energy: -196.418623
where:
bonds (distance) C4'-P energy: -56.267
bonds (distance) P-C4' energy: -68.099
flat angles C4'-P-C4' energy: -48.408
flat angles P-C4'-P energy: -32.649
tors. eta vs tors. theta energy: 9.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -295.670743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.670743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.670743 (E_RNA)
where:
Base-Base interactions energy: -95.201
where: short stacking energy: -85.271
Base-Backbone interact. energy: -0.126
local terms energy: -200.343392
where:
bonds (distance) C4'-P energy: -53.518
bonds (distance) P-C4' energy: -56.436
flat angles C4'-P-C4' energy: -61.640
flat angles P-C4'-P energy: -22.558
tors. eta vs tors. theta energy: -6.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1141.275789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.275789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.275789 (E_RNA)
where:
Base-Base interactions energy: -776.219
where: short stacking energy: -334.030
Base-Backbone interact. energy: -0.939
local terms energy: -364.117602
where:
bonds (distance) C4'-P energy: -69.771
bonds (distance) P-C4' energy: -69.889
flat angles C4'-P-C4' energy: -85.393
flat angles P-C4'-P energy: -54.471
tors. eta vs tors. theta energy: -84.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1080.640072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.640072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.640072 (E_RNA)
where:
Base-Base interactions energy: -712.611
where: short stacking energy: -314.060
Base-Backbone interact. energy: -1.874
local terms energy: -366.155656
where:
bonds (distance) C4'-P energy: -75.744
bonds (distance) P-C4' energy: -62.955
flat angles C4'-P-C4' energy: -76.625
flat angles P-C4'-P energy: -58.290
tors. eta vs tors. theta energy: -92.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1055.271150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.271150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.271150 (E_RNA)
where:
Base-Base interactions energy: -686.223
where: short stacking energy: -308.290
Base-Backbone interact. energy: -2.052
local terms energy: -366.996211
where:
bonds (distance) C4'-P energy: -68.747
bonds (distance) P-C4' energy: -77.144
flat angles C4'-P-C4' energy: -79.443
flat angles P-C4'-P energy: -50.169
tors. eta vs tors. theta energy: -91.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -952.117977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.117977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.117977 (E_RNA)
where:
Base-Base interactions energy: -603.616
where: short stacking energy: -298.856
Base-Backbone interact. energy: -2.697
local terms energy: -345.804385
where:
bonds (distance) C4'-P energy: -72.834
bonds (distance) P-C4' energy: -75.204
flat angles C4'-P-C4' energy: -69.592
flat angles P-C4'-P energy: -52.955
tors. eta vs tors. theta energy: -75.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -907.231531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.231531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.231531 (E_RNA)
where:
Base-Base interactions energy: -617.446
where: short stacking energy: -234.585
Base-Backbone interact. energy: -0.069
local terms energy: -289.716601
where:
bonds (distance) C4'-P energy: -68.668
bonds (distance) P-C4' energy: -66.692
flat angles C4'-P-C4' energy: -68.771
flat angles P-C4'-P energy: -37.876
tors. eta vs tors. theta energy: -47.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -688.518896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.518896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.518896 (E_RNA)
where:
Base-Base interactions energy: -404.152
where: short stacking energy: -188.985
Base-Backbone interact. energy: 0.538
local terms energy: -284.904319
where:
bonds (distance) C4'-P energy: -57.460
bonds (distance) P-C4' energy: -67.117
flat angles C4'-P-C4' energy: -66.529
flat angles P-C4'-P energy: -50.397
tors. eta vs tors. theta energy: -43.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -613.213160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.213160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.213160 (E_RNA)
where:
Base-Base interactions energy: -372.255
where: short stacking energy: -172.478
Base-Backbone interact. energy: -3.277
local terms energy: -237.681714
where:
bonds (distance) C4'-P energy: -52.507
bonds (distance) P-C4' energy: -64.043
flat angles C4'-P-C4' energy: -58.989
flat angles P-C4'-P energy: -39.875
tors. eta vs tors. theta energy: -22.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -501.178938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.178938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.178938 (E_RNA)
where:
Base-Base interactions energy: -239.997
where: short stacking energy: -111.915
Base-Backbone interact. energy: -1.361
local terms energy: -259.821586
where:
bonds (distance) C4'-P energy: -65.181
bonds (distance) P-C4' energy: -81.996
flat angles C4'-P-C4' energy: -59.447
flat angles P-C4'-P energy: -47.474
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: 9, replica: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -324.906037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.906037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.906037 (E_RNA)
where:
Base-Base interactions energy: -120.427
where: short stacking energy: -100.314
Base-Backbone interact. energy: -0.038
local terms energy: -204.441381
where:
bonds (distance) C4'-P energy: -50.146
bonds (distance) P-C4' energy: -75.051
flat angles C4'-P-C4' energy: -43.133
flat angles P-C4'-P energy: -41.864
tors. eta vs tors. theta energy: 5.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -280.314328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.314328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.314328 (E_RNA)
where:
Base-Base interactions energy: -103.336
where: short stacking energy: -89.230
Base-Backbone interact. energy: -0.100
local terms energy: -176.877936
where:
bonds (distance) C4'-P energy: -46.139
bonds (distance) P-C4' energy: -69.659
flat angles C4'-P-C4' energy: -43.388
flat angles P-C4'-P energy: -30.536
tors. eta vs tors. theta energy: 12.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1141.433830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.433830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.433830 (E_RNA)
where:
Base-Base interactions energy: -759.304
where: short stacking energy: -325.613
Base-Backbone interact. energy: -1.379
local terms energy: -380.751026
where:
bonds (distance) C4'-P energy: -77.428
bonds (distance) P-C4' energy: -74.779
flat angles C4'-P-C4' energy: -76.054
flat angles P-C4'-P energy: -62.624
tors. eta vs tors. theta energy: -89.865
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: 45
Temperature: 0.950000
Total energy: -1113.881893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.881893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.881893 (E_RNA)
where:
Base-Base interactions energy: -741.225
where: short stacking energy: -311.011
Base-Backbone interact. energy: 2.015
local terms energy: -374.671911
where:
bonds (distance) C4'-P energy: -71.840
bonds (distance) P-C4' energy: -72.150
flat angles C4'-P-C4' energy: -81.706
flat angles P-C4'-P energy: -55.472
tors. eta vs tors. theta energy: -93.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1053.241028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.241028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.241028 (E_RNA)
where:
Base-Base interactions energy: -687.497
where: short stacking energy: -309.694
Base-Backbone interact. energy: -1.895
local terms energy: -363.849196
where:
bonds (distance) C4'-P energy: -61.892
bonds (distance) P-C4' energy: -71.198
flat angles C4'-P-C4' energy: -79.415
flat angles P-C4'-P energy: -62.145
tors. eta vs tors. theta energy: -89.199
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: 4, replica: 9
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -889.637777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.637777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.637777 (E_RNA)
where:
Base-Base interactions energy: -590.842
where: short stacking energy: -255.849
Base-Backbone interact. energy: 1.914
local terms energy: -300.710398
where:
bonds (distance) C4'-P energy: -65.785
bonds (distance) P-C4' energy: -62.999
flat angles C4'-P-C4' energy: -66.336
flat angles P-C4'-P energy: -38.301
tors. eta vs tors. theta energy: -67.289
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: 45
Temperature: 1.100000
Total energy: -859.133438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.133438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.133438 (E_RNA)
where:
Base-Base interactions energy: -560.569
where: short stacking energy: -266.308
Base-Backbone interact. energy: -1.437
local terms energy: -297.127253
where:
bonds (distance) C4'-P energy: -57.342
bonds (distance) P-C4' energy: -61.081
flat angles C4'-P-C4' energy: -62.888
flat angles P-C4'-P energy: -54.577
tors. eta vs tors. theta energy: -61.238
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: 3
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -646.274746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.274746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.274746 (E_RNA)
where:
Base-Base interactions energy: -380.110
where: short stacking energy: -168.294
Base-Backbone interact. energy: 0.740
local terms energy: -266.904300
where:
bonds (distance) C4'-P energy: -63.227
bonds (distance) P-C4' energy: -66.722
flat angles C4'-P-C4' energy: -64.388
flat angles P-C4'-P energy: -46.719
tors. eta vs tors. theta energy: -25.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -665.533691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.533691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.533691 (E_RNA)
where:
Base-Base interactions energy: -408.740
where: short stacking energy: -202.982
Base-Backbone interact. energy: -1.589
local terms energy: -255.204543
where:
bonds (distance) C4'-P energy: -48.687
bonds (distance) P-C4' energy: -62.664
flat angles C4'-P-C4' energy: -64.261
flat angles P-C4'-P energy: -34.805
tors. eta vs tors. theta energy: -44.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -507.703437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.703437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.703437 (E_RNA)
where:
Base-Base interactions energy: -267.932
where: short stacking energy: -145.876
Base-Backbone interact. energy: -1.628
local terms energy: -238.142971
where:
bonds (distance) C4'-P energy: -56.441
bonds (distance) P-C4' energy: -56.431
flat angles C4'-P-C4' energy: -62.076
flat angles P-C4'-P energy: -31.130
tors. eta vs tors. theta energy: -32.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -312.615702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.615702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.615702 (E_RNA)
where:
Base-Base interactions energy: -108.278
where: short stacking energy: -87.948
Base-Backbone interact. energy: -0.472
local terms energy: -203.865591
where:
bonds (distance) C4'-P energy: -63.259
bonds (distance) P-C4' energy: -65.969
flat angles C4'-P-C4' energy: -42.223
flat angles P-C4'-P energy: -40.383
tors. eta vs tors. theta energy: 7.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -275.102760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.102760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.102760 (E_RNA)
where:
Base-Base interactions energy: -84.546
where: short stacking energy: -79.638
Base-Backbone interact. energy: -1.276
local terms energy: -189.280869
where:
bonds (distance) C4'-P energy: -43.047
bonds (distance) P-C4' energy: -66.082
flat angles C4'-P-C4' energy: -60.759
flat angles P-C4'-P energy: -30.964
tors. eta vs tors. theta energy: 11.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1137.553135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.553135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.553135 (E_RNA)
where:
Base-Base interactions energy: -747.290
where: short stacking energy: -318.540
Base-Backbone interact. energy: 0.041
local terms energy: -390.304161
where:
bonds (distance) C4'-P energy: -82.191
bonds (distance) P-C4' energy: -73.684
flat angles C4'-P-C4' energy: -86.471
flat angles P-C4'-P energy: -59.349
tors. eta vs tors. theta energy: -88.610
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: 7
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1140.898370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.898370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.898370 (E_RNA)
where:
Base-Base interactions energy: -774.001
where: short stacking energy: -309.284
Base-Backbone interact. energy: -1.336
local terms energy: -365.561686
where:
bonds (distance) C4'-P energy: -80.764
bonds (distance) P-C4' energy: -78.888
flat angles C4'-P-C4' energy: -73.655
flat angles P-C4'-P energy: -44.809
tors. eta vs tors. theta energy: -87.446
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: 3, replica: 1
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -996.629769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.629769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.629769 (E_RNA)
where:
Base-Base interactions energy: -645.692
where: short stacking energy: -309.759
Base-Backbone interact. energy: 1.048
local terms energy: -351.985004
where:
bonds (distance) C4'-P energy: -69.387
bonds (distance) P-C4' energy: -65.912
flat angles C4'-P-C4' energy: -72.221
flat angles P-C4'-P energy: -52.864
tors. eta vs tors. theta energy: -91.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -872.197856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.197856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.197856 (E_RNA)
where:
Base-Base interactions energy: -558.292
where: short stacking energy: -262.523
Base-Backbone interact. energy: -2.757
local terms energy: -311.148957
where:
bonds (distance) C4'-P energy: -64.020
bonds (distance) P-C4' energy: -72.156
flat angles C4'-P-C4' energy: -64.283
flat angles P-C4'-P energy: -46.170
tors. eta vs tors. theta energy: -64.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -934.805586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.805586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.805586 (E_RNA)
where:
Base-Base interactions energy: -607.969
where: short stacking energy: -272.946
Base-Backbone interact. energy: -0.353
local terms energy: -326.483206
where:
bonds (distance) C4'-P energy: -68.614
bonds (distance) P-C4' energy: -57.416
flat angles C4'-P-C4' energy: -79.904
flat angles P-C4'-P energy: -49.180
tors. eta vs tors. theta energy: -71.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -642.168122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.168122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.168122 (E_RNA)
where:
Base-Base interactions energy: -352.789
where: short stacking energy: -187.157
Base-Backbone interact. energy: 0.019
local terms energy: -289.397622
where:
bonds (distance) C4'-P energy: -70.129
bonds (distance) P-C4' energy: -72.688
flat angles C4'-P-C4' energy: -72.717
flat angles P-C4'-P energy: -34.119
tors. eta vs tors. theta energy: -39.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -681.009154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.009154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.009154 (E_RNA)
where:
Base-Base interactions energy: -413.234
where: short stacking energy: -185.743
Base-Backbone interact. energy: -1.585
local terms energy: -266.189852
where:
bonds (distance) C4'-P energy: -65.028
bonds (distance) P-C4' energy: -64.727
flat angles C4'-P-C4' energy: -61.585
flat angles P-C4'-P energy: -40.296
tors. eta vs tors. theta energy: -34.555
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: 46
Temperature: 1.250000
Total energy: -459.264670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.264670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.264670 (E_RNA)
where:
Base-Base interactions energy: -220.172
where: short stacking energy: -148.773
Base-Backbone interact. energy: -2.887
local terms energy: -236.205940
where:
bonds (distance) C4'-P energy: -54.726
bonds (distance) P-C4' energy: -62.543
flat angles C4'-P-C4' energy: -56.639
flat angles P-C4'-P energy: -41.510
tors. eta vs tors. theta energy: -20.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -324.614016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.614016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.614016 (E_RNA)
where:
Base-Base interactions energy: -108.207
where: short stacking energy: -99.161
Base-Backbone interact. energy: 2.800
local terms energy: -219.206849
where:
bonds (distance) C4'-P energy: -57.503
bonds (distance) P-C4' energy: -63.688
flat angles C4'-P-C4' energy: -59.618
flat angles P-C4'-P energy: -33.794
tors. eta vs tors. theta energy: -4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -316.740764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.740764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.740764 (E_RNA)
where:
Base-Base interactions energy: -99.746
where: short stacking energy: -65.629
Base-Backbone interact. energy: -0.059
local terms energy: -216.935879
where:
bonds (distance) C4'-P energy: -61.372
bonds (distance) P-C4' energy: -64.097
flat angles C4'-P-C4' energy: -60.844
flat angles P-C4'-P energy: -39.365
tors. eta vs tors. theta energy: 8.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1155.144577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.144577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.144577 (E_RNA)
where:
Base-Base interactions energy: -782.011
where: short stacking energy: -336.263
Base-Backbone interact. energy: -0.257
local terms energy: -372.876583
where:
bonds (distance) C4'-P energy: -67.869
bonds (distance) P-C4' energy: -76.491
flat angles C4'-P-C4' energy: -81.056
flat angles P-C4'-P energy: -48.684
tors. eta vs tors. theta energy: -98.778
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: 47
Temperature: 0.950000
Total energy: -1144.280652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.280652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.280652 (E_RNA)
where:
Base-Base interactions energy: -783.800
where: short stacking energy: -317.933
Base-Backbone interact. energy: -1.352
local terms energy: -359.128825
where:
bonds (distance) C4'-P energy: -71.137
bonds (distance) P-C4' energy: -68.043
flat angles C4'-P-C4' energy: -76.127
flat angles P-C4'-P energy: -53.167
tors. eta vs tors. theta energy: -90.655
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: 1
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1013.803727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.803727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.803727 (E_RNA)
where:
Base-Base interactions energy: -643.800
where: short stacking energy: -297.200
Base-Backbone interact. energy: 0.970
local terms energy: -370.973646
where:
bonds (distance) C4'-P energy: -84.331
bonds (distance) P-C4' energy: -74.218
flat angles C4'-P-C4' energy: -71.042
flat angles P-C4'-P energy: -53.046
tors. eta vs tors. theta energy: -88.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -980.340865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.340865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.340865 (E_RNA)
where:
Base-Base interactions energy: -646.770
where: short stacking energy: -281.509
Base-Backbone interact. energy: -2.216
local terms energy: -331.355690
where:
bonds (distance) C4'-P energy: -68.137
bonds (distance) P-C4' energy: -68.089
flat angles C4'-P-C4' energy: -72.014
flat angles P-C4'-P energy: -42.782
tors. eta vs tors. theta energy: -80.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -801.969857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.969857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.969857 (E_RNA)
where:
Base-Base interactions energy: -507.829
where: short stacking energy: -219.137
Base-Backbone interact. energy: -1.933
local terms energy: -292.207396
where:
bonds (distance) C4'-P energy: -64.324
bonds (distance) P-C4' energy: -69.195
flat angles C4'-P-C4' energy: -66.340
flat angles P-C4'-P energy: -39.451
tors. eta vs tors. theta energy: -52.897
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: 4
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -715.662383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.662383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.662383 (E_RNA)
where:
Base-Base interactions energy: -414.336
where: short stacking energy: -203.032
Base-Backbone interact. energy: -0.705
local terms energy: -300.621143
where:
bonds (distance) C4'-P energy: -63.751
bonds (distance) P-C4' energy: -74.472
flat angles C4'-P-C4' energy: -63.053
flat angles P-C4'-P energy: -46.712
tors. eta vs tors. theta energy: -52.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -600.714153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.714153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.714153 (E_RNA)
where:
Base-Base interactions energy: -353.186
where: short stacking energy: -168.431
Base-Backbone interact. energy: 3.999
local terms energy: -251.527625
where:
bonds (distance) C4'-P energy: -71.151
bonds (distance) P-C4' energy: -57.515
flat angles C4'-P-C4' energy: -64.746
flat angles P-C4'-P energy: -29.927
tors. eta vs tors. theta energy: -28.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -464.883435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.883435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.883435 (E_RNA)
where:
Base-Base interactions energy: -235.841
where: short stacking energy: -144.655
Base-Backbone interact. energy: -2.379
local terms energy: -226.663275
where:
bonds (distance) C4'-P energy: -58.637
bonds (distance) P-C4' energy: -62.759
flat angles C4'-P-C4' energy: -58.825
flat angles P-C4'-P energy: -31.566
tors. eta vs tors. theta energy: -14.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -322.492204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.492204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.492204 (E_RNA)
where:
Base-Base interactions energy: -97.652
where: short stacking energy: -88.080
Base-Backbone interact. energy: -0.326
local terms energy: -224.514444
where:
bonds (distance) C4'-P energy: -55.783
bonds (distance) P-C4' energy: -61.989
flat angles C4'-P-C4' energy: -56.003
flat angles P-C4'-P energy: -46.849
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: 10, replica: 6
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -293.112450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.112450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.112450 (E_RNA)
where:
Base-Base interactions energy: -101.743
where: short stacking energy: -86.170
Base-Backbone interact. energy: -2.328
local terms energy: -189.041876
where:
bonds (distance) C4'-P energy: -55.372
bonds (distance) P-C4' energy: -60.031
flat angles C4'-P-C4' energy: -52.087
flat angles P-C4'-P energy: -31.604
tors. eta vs tors. theta energy: 10.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1152.598085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.598085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.598085 (E_RNA)
where:
Base-Base interactions energy: -786.240
where: short stacking energy: -337.003
Base-Backbone interact. energy: -2.076
local terms energy: -364.282460
where:
bonds (distance) C4'-P energy: -67.683
bonds (distance) P-C4' energy: -75.151
flat angles C4'-P-C4' energy: -72.336
flat angles P-C4'-P energy: -59.579
tors. eta vs tors. theta energy: -89.533
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: 2, replica: 5
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1130.039246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.039246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.039246 (E_RNA)
where:
Base-Base interactions energy: -765.053
where: short stacking energy: -329.654
Base-Backbone interact. energy: -0.030
local terms energy: -364.955775
where:
bonds (distance) C4'-P energy: -68.915
bonds (distance) P-C4' energy: -70.863
flat angles C4'-P-C4' energy: -79.763
flat angles P-C4'-P energy: -43.860
tors. eta vs tors. theta energy: -101.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1020.580238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.580238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.580238 (E_RNA)
where:
Base-Base interactions energy: -663.802
where: short stacking energy: -325.053
Base-Backbone interact. energy: -0.546
local terms energy: -356.232029
where:
bonds (distance) C4'-P energy: -70.649
bonds (distance) P-C4' energy: -68.258
flat angles C4'-P-C4' energy: -83.645
flat angles P-C4'-P energy: -51.716
tors. eta vs tors. theta energy: -81.964
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: 2
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1012.529122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.529122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.529122 (E_RNA)
where:
Base-Base interactions energy: -684.870
where: short stacking energy: -284.978
Base-Backbone interact. energy: -3.348
local terms energy: -324.311249
where:
bonds (distance) C4'-P energy: -69.743
bonds (distance) P-C4' energy: -60.845
flat angles C4'-P-C4' energy: -72.671
flat angles P-C4'-P energy: -48.763
tors. eta vs tors. theta energy: -72.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -793.840321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.840321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.840321 (E_RNA)
where:
Base-Base interactions energy: -485.574
where: short stacking energy: -212.250
Base-Backbone interact. energy: -2.138
local terms energy: -306.128912
where:
bonds (distance) C4'-P energy: -61.721
bonds (distance) P-C4' energy: -76.173
flat angles C4'-P-C4' energy: -76.970
flat angles P-C4'-P energy: -49.715
tors. eta vs tors. theta energy: -41.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -743.735704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.735704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.735704 (E_RNA)
where:
Base-Base interactions energy: -422.231
where: short stacking energy: -209.199
Base-Backbone interact. energy: 2.369
local terms energy: -323.874103
where:
bonds (distance) C4'-P energy: -77.199
bonds (distance) P-C4' energy: -74.488
flat angles C4'-P-C4' energy: -67.913
flat angles P-C4'-P energy: -43.117
tors. eta vs tors. theta energy: -61.157
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: 3
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -592.202652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.202652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.202652 (E_RNA)
where:
Base-Base interactions energy: -334.104
where: short stacking energy: -166.360
Base-Backbone interact. energy: -1.789
local terms energy: -256.309750
where:
bonds (distance) C4'-P energy: -53.037
bonds (distance) P-C4' energy: -70.499
flat angles C4'-P-C4' energy: -67.714
flat angles P-C4'-P energy: -39.620
tors. eta vs tors. theta energy: -25.439
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: 8
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -437.325955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.325955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.325955 (E_RNA)
where:
Base-Base interactions energy: -218.021
where: short stacking energy: -106.702
Base-Backbone interact. energy: -1.326
local terms energy: -217.978652
where:
bonds (distance) C4'-P energy: -59.362
bonds (distance) P-C4' energy: -61.659
flat angles C4'-P-C4' energy: -58.016
flat angles P-C4'-P energy: -38.149
tors. eta vs tors. theta energy: -0.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -339.521555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.521555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.521555 (E_RNA)
where:
Base-Base interactions energy: -120.864
where: short stacking energy: -89.516
Base-Backbone interact. energy: -2.354
local terms energy: -216.304005
where:
bonds (distance) C4'-P energy: -57.549
bonds (distance) P-C4' energy: -73.174
flat angles C4'-P-C4' energy: -59.791
flat angles P-C4'-P energy: -36.847
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: 10, replica: 6
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -288.936532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.936532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.936532 (E_RNA)
where:
Base-Base interactions energy: -112.238
where: short stacking energy: -78.935
Base-Backbone interact. energy: 1.123
local terms energy: -177.821148
where:
bonds (distance) C4'-P energy: -48.508
bonds (distance) P-C4' energy: -66.748
flat angles C4'-P-C4' energy: -51.275
flat angles P-C4'-P energy: -17.702
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: 1, replica: 7
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1151.193293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.193293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.193293 (E_RNA)
where:
Base-Base interactions energy: -779.415
where: short stacking energy: -310.619
Base-Backbone interact. energy: -1.594
local terms energy: -370.184278
where:
bonds (distance) C4'-P energy: -67.489
bonds (distance) P-C4' energy: -85.537
flat angles C4'-P-C4' energy: -77.778
flat angles P-C4'-P energy: -53.147
tors. eta vs tors. theta energy: -86.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1122.962821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.962821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.962821 (E_RNA)
where:
Base-Base interactions energy: -736.808
where: short stacking energy: -310.261
Base-Backbone interact. energy: 0.307
local terms energy: -386.462503
where:
bonds (distance) C4'-P energy: -77.371
bonds (distance) P-C4' energy: -76.501
flat angles C4'-P-C4' energy: -85.792
flat angles P-C4'-P energy: -47.626
tors. eta vs tors. theta energy: -99.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1003.183509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.183509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.183509 (E_RNA)
where:
Base-Base interactions energy: -633.380
where: short stacking energy: -302.987
Base-Backbone interact. energy: -1.932
local terms energy: -367.870700
where:
bonds (distance) C4'-P energy: -65.604
bonds (distance) P-C4' energy: -79.710
flat angles C4'-P-C4' energy: -84.206
flat angles P-C4'-P energy: -51.446
tors. eta vs tors. theta energy: -86.905
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: 2
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1042.691731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.691731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.691731 (E_RNA)
where:
Base-Base interactions energy: -682.774
where: short stacking energy: -300.765
Base-Backbone interact. energy: -1.468
local terms energy: -358.450126
where:
bonds (distance) C4'-P energy: -72.883
bonds (distance) P-C4' energy: -66.998
flat angles C4'-P-C4' energy: -79.036
flat angles P-C4'-P energy: -49.174
tors. eta vs tors. theta energy: -90.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -848.643749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.643749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.643749 (E_RNA)
where:
Base-Base interactions energy: -543.244
where: short stacking energy: -242.000
Base-Backbone interact. energy: 1.228
local terms energy: -306.627187
where:
bonds (distance) C4'-P energy: -67.624
bonds (distance) P-C4' energy: -74.664
flat angles C4'-P-C4' energy: -64.549
flat angles P-C4'-P energy: -43.255
tors. eta vs tors. theta energy: -56.535
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: 3
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -655.751561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.751561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.751561 (E_RNA)
where:
Base-Base interactions energy: -375.128
where: short stacking energy: -195.069
Base-Backbone interact. energy: -1.812
local terms energy: -278.811535
where:
bonds (distance) C4'-P energy: -62.097
bonds (distance) P-C4' energy: -77.182
flat angles C4'-P-C4' energy: -61.864
flat angles P-C4'-P energy: -42.309
tors. eta vs tors. theta energy: -35.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -675.047630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.047630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.047630 (E_RNA)
where:
Base-Base interactions energy: -422.459
where: short stacking energy: -227.489
Base-Backbone interact. energy: -1.527
local terms energy: -251.060906
where:
bonds (distance) C4'-P energy: -52.714
bonds (distance) P-C4' energy: -61.411
flat angles C4'-P-C4' energy: -59.205
flat angles P-C4'-P energy: -36.321
tors. eta vs tors. theta energy: -41.410
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: 8
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -448.155469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.155469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.155469 (E_RNA)
where:
Base-Base interactions energy: -206.989
where: short stacking energy: -124.525
Base-Backbone interact. energy: -2.453
local terms energy: -238.712719
where:
bonds (distance) C4'-P energy: -56.364
bonds (distance) P-C4' energy: -68.240
flat angles C4'-P-C4' energy: -64.044
flat angles P-C4'-P energy: -43.846
tors. eta vs tors. theta energy: -6.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -323.439464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.439464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.439464 (E_RNA)
where:
Base-Base interactions energy: -141.629
where: short stacking energy: -93.718
Base-Backbone interact. energy: 0.440
local terms energy: -182.251125
where:
bonds (distance) C4'-P energy: -63.607
bonds (distance) P-C4' energy: -68.239
flat angles C4'-P-C4' energy: -41.446
flat angles P-C4'-P energy: -25.074
tors. eta vs tors. theta energy: 16.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -305.766438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.766438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.766438 (E_RNA)
where:
Base-Base interactions energy: -102.672
where: short stacking energy: -77.116
Base-Backbone interact. energy: 1.589
local terms energy: -204.683245
where:
bonds (distance) C4'-P energy: -61.413
bonds (distance) P-C4' energy: -60.630
flat angles C4'-P-C4' energy: -58.210
flat angles P-C4'-P energy: -36.559
tors. eta vs tors. theta energy: 12.128
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: 5
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1149.030238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.030238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.030238 (E_RNA)
where:
Base-Base interactions energy: -768.919
where: short stacking energy: -348.466
Base-Backbone interact. energy: 1.550
local terms energy: -381.660939
where:
bonds (distance) C4'-P energy: -75.706
bonds (distance) P-C4' energy: -79.212
flat angles C4'-P-C4' energy: -79.275
flat angles P-C4'-P energy: -54.211
tors. eta vs tors. theta energy: -93.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1119.057565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.057565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.057565 (E_RNA)
where:
Base-Base interactions energy: -778.138
where: short stacking energy: -318.198
Base-Backbone interact. energy: -1.192
local terms energy: -339.726723
where:
bonds (distance) C4'-P energy: -62.018
bonds (distance) P-C4' energy: -69.692
flat angles C4'-P-C4' energy: -76.650
flat angles P-C4'-P energy: -44.150
tors. eta vs tors. theta energy: -87.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1005.051673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.051673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.051673 (E_RNA)
where:
Base-Base interactions energy: -687.832
where: short stacking energy: -288.053
Base-Backbone interact. energy: -3.340
local terms energy: -313.879845
where:
bonds (distance) C4'-P energy: -65.121
bonds (distance) P-C4' energy: -65.261
flat angles C4'-P-C4' energy: -73.724
flat angles P-C4'-P energy: -40.869
tors. eta vs tors. theta energy: -68.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -977.979885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.979885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.979885 (E_RNA)
where:
Base-Base interactions energy: -629.747
where: short stacking energy: -307.188
Base-Backbone interact. energy: -1.101
local terms energy: -347.132413
where:
bonds (distance) C4'-P energy: -53.589
bonds (distance) P-C4' energy: -66.427
flat angles C4'-P-C4' energy: -82.840
flat angles P-C4'-P energy: -57.272
tors. eta vs tors. theta energy: -87.004
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: 4
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -782.461465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.461465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.461465 (E_RNA)
where:
Base-Base interactions energy: -476.096
where: short stacking energy: -217.477
Base-Backbone interact. energy: -1.010
local terms energy: -305.354716
where:
bonds (distance) C4'-P energy: -64.028
bonds (distance) P-C4' energy: -77.834
flat angles C4'-P-C4' energy: -67.661
flat angles P-C4'-P energy: -41.605
tors. eta vs tors. theta energy: -54.227
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: 3
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -636.031794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.031794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.031794 (E_RNA)
where:
Base-Base interactions energy: -369.063
where: short stacking energy: -195.903
Base-Backbone interact. energy: -1.079
local terms energy: -265.889931
where:
bonds (distance) C4'-P energy: -68.167
bonds (distance) P-C4' energy: -62.788
flat angles C4'-P-C4' energy: -61.279
flat angles P-C4'-P energy: -44.343
tors. eta vs tors. theta energy: -29.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -658.441307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.441307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.441307 (E_RNA)
where:
Base-Base interactions energy: -372.452
where: short stacking energy: -172.205
Base-Backbone interact. energy: -1.934
local terms energy: -284.054940
where:
bonds (distance) C4'-P energy: -47.536
bonds (distance) P-C4' energy: -67.446
flat angles C4'-P-C4' energy: -76.168
flat angles P-C4'-P energy: -40.829
tors. eta vs tors. theta energy: -52.076
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: 8
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -397.638134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.638134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.638134 (E_RNA)
where:
Base-Base interactions energy: -188.199
where: short stacking energy: -89.323
Base-Backbone interact. energy: -0.185
local terms energy: -209.253956
where:
bonds (distance) C4'-P energy: -58.208
bonds (distance) P-C4' energy: -61.984
flat angles C4'-P-C4' energy: -58.650
flat angles P-C4'-P energy: -30.948
tors. eta vs tors. theta energy: 0.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -337.492999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.492999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.492999 (E_RNA)
where:
Base-Base interactions energy: -118.630
where: short stacking energy: -98.310
Base-Backbone interact. energy: -0.371
local terms energy: -218.492662
where:
bonds (distance) C4'-P energy: -64.496
bonds (distance) P-C4' energy: -80.669
flat angles C4'-P-C4' energy: -53.835
flat angles P-C4'-P energy: -24.491
tors. eta vs tors. theta energy: 4.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -288.773444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.773444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.773444 (E_RNA)
where:
Base-Base interactions energy: -73.306
where: short stacking energy: -70.587
Base-Backbone interact. energy: 4.031
local terms energy: -219.497968
where:
bonds (distance) C4'-P energy: -78.558
bonds (distance) P-C4' energy: -66.014
flat angles C4'-P-C4' energy: -55.911
flat angles P-C4'-P energy: -35.093
tors. eta vs tors. theta energy: 16.078
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: 1, replica: 5
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1167.374685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.374685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.374685 (E_RNA)
where:
Base-Base interactions energy: -795.463
where: short stacking energy: -331.090
Base-Backbone interact. energy: 0.512
local terms energy: -372.423468
where:
bonds (distance) C4'-P energy: -68.565
bonds (distance) P-C4' energy: -76.987
flat angles C4'-P-C4' energy: -76.940
flat angles P-C4'-P energy: -49.179
tors. eta vs tors. theta energy: -100.753
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: 7
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1140.883072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.883072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.883072 (E_RNA)
where:
Base-Base interactions energy: -780.740
where: short stacking energy: -328.932
Base-Backbone interact. energy: -2.346
local terms energy: -357.797884
where:
bonds (distance) C4'-P energy: -61.888
bonds (distance) P-C4' energy: -75.652
flat angles C4'-P-C4' energy: -78.440
flat angles P-C4'-P energy: -50.424
tors. eta vs tors. theta energy: -91.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1050.451157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.451157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.451157 (E_RNA)
where:
Base-Base interactions energy: -709.728
where: short stacking energy: -294.657
Base-Backbone interact. energy: -1.803
local terms energy: -338.920268
where:
bonds (distance) C4'-P energy: -71.291
bonds (distance) P-C4' energy: -69.200
flat angles C4'-P-C4' energy: -77.652
flat angles P-C4'-P energy: -51.712
tors. eta vs tors. theta energy: -69.066
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: 1
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -962.623963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.623963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.623963 (E_RNA)
where:
Base-Base interactions energy: -599.029
where: short stacking energy: -294.503
Base-Backbone interact. energy: -0.588
local terms energy: -363.007744
where:
bonds (distance) C4'-P energy: -72.997
bonds (distance) P-C4' energy: -75.163
flat angles C4'-P-C4' energy: -75.608
flat angles P-C4'-P energy: -54.052
tors. eta vs tors. theta energy: -85.187
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: 51
Temperature: 1.100000
Total energy: -788.879642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.879642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.879642 (E_RNA)
where:
Base-Base interactions energy: -477.656
where: short stacking energy: -223.212
Base-Backbone interact. energy: -2.062
local terms energy: -309.161232
where:
bonds (distance) C4'-P energy: -72.009
bonds (distance) P-C4' energy: -70.382
flat angles C4'-P-C4' energy: -69.215
flat angles P-C4'-P energy: -41.880
tors. eta vs tors. theta energy: -55.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -652.501209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.501209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.501209 (E_RNA)
where:
Base-Base interactions energy: -378.139
where: short stacking energy: -208.500
Base-Backbone interact. energy: 1.953
local terms energy: -276.315006
where:
bonds (distance) C4'-P energy: -64.483
bonds (distance) P-C4' energy: -59.531
flat angles C4'-P-C4' energy: -69.362
flat angles P-C4'-P energy: -41.954
tors. eta vs tors. theta energy: -40.985
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: 9
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -640.497624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.497624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.497624 (E_RNA)
where:
Base-Base interactions energy: -373.465
where: short stacking energy: -193.299
Base-Backbone interact. energy: 1.449
local terms energy: -268.481813
where:
bonds (distance) C4'-P energy: -66.452
bonds (distance) P-C4' energy: -69.641
flat angles C4'-P-C4' energy: -62.586
flat angles P-C4'-P energy: -35.175
tors. eta vs tors. theta energy: -34.628
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: 51
Temperature: 1.250000
Total energy: -420.533227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.533227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.533227 (E_RNA)
where:
Base-Base interactions energy: -188.550
where: short stacking energy: -124.855
Base-Backbone interact. energy: -0.825
local terms energy: -231.158046
where:
bonds (distance) C4'-P energy: -64.541
bonds (distance) P-C4' energy: -64.321
flat angles C4'-P-C4' energy: -57.210
flat angles P-C4'-P energy: -46.241
tors. eta vs tors. theta energy: 1.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -381.863478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.863478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.863478 (E_RNA)
where:
Base-Base interactions energy: -161.301
where: short stacking energy: -103.318
Base-Backbone interact. energy: -0.303
local terms energy: -220.259426
where:
bonds (distance) C4'-P energy: -51.102
bonds (distance) P-C4' energy: -63.374
flat angles C4'-P-C4' energy: -65.807
flat angles P-C4'-P energy: -38.696
tors. eta vs tors. theta energy: -1.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -346.189511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.189511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.189511 (E_RNA)
where:
Base-Base interactions energy: -142.405
where: short stacking energy: -109.685
Base-Backbone interact. energy: 0.237
local terms energy: -204.021519
where:
bonds (distance) C4'-P energy: -44.958
bonds (distance) P-C4' energy: -69.274
flat angles C4'-P-C4' energy: -57.571
flat angles P-C4'-P energy: -38.211
tors. eta vs tors. theta energy: 5.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1165.256563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.256563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.256563 (E_RNA)
where:
Base-Base interactions energy: -802.929
where: short stacking energy: -346.103
Base-Backbone interact. energy: -3.557
local terms energy: -358.769886
where:
bonds (distance) C4'-P energy: -66.013
bonds (distance) P-C4' energy: -76.106
flat angles C4'-P-C4' energy: -72.329
flat angles P-C4'-P energy: -52.228
tors. eta vs tors. theta energy: -92.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1146.226713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.226713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.226713 (E_RNA)
where:
Base-Base interactions energy: -769.609
where: short stacking energy: -325.373
Base-Backbone interact. energy: 0.253
local terms energy: -376.871189
where:
bonds (distance) C4'-P energy: -71.307
bonds (distance) P-C4' energy: -70.273
flat angles C4'-P-C4' energy: -85.859
flat angles P-C4'-P energy: -57.989
tors. eta vs tors. theta energy: -91.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1066.087393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.087393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.087393 (E_RNA)
where:
Base-Base interactions energy: -730.248
where: short stacking energy: -337.032
Base-Backbone interact. energy: 0.241
local terms energy: -336.080506
where:
bonds (distance) C4'-P energy: -62.886
bonds (distance) P-C4' energy: -73.744
flat angles C4'-P-C4' energy: -79.418
flat angles P-C4'-P energy: -44.843
tors. eta vs tors. theta energy: -75.190
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: 1
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -976.253997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.253997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.253997 (E_RNA)
where:
Base-Base interactions energy: -629.848
where: short stacking energy: -299.126
Base-Backbone interact. energy: -0.770
local terms energy: -345.636009
where:
bonds (distance) C4'-P energy: -71.967
bonds (distance) P-C4' energy: -62.704
flat angles C4'-P-C4' energy: -79.768
flat angles P-C4'-P energy: -43.879
tors. eta vs tors. theta energy: -87.318
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: 52
Temperature: 1.100000
Total energy: -820.588525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.588525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.588525 (E_RNA)
where:
Base-Base interactions energy: -526.692
where: short stacking energy: -217.425
Base-Backbone interact. energy: -1.849
local terms energy: -292.047400
where:
bonds (distance) C4'-P energy: -59.446
bonds (distance) P-C4' energy: -69.108
flat angles C4'-P-C4' energy: -60.193
flat angles P-C4'-P energy: -41.408
tors. eta vs tors. theta energy: -61.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -710.762699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.762699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.762699 (E_RNA)
where:
Base-Base interactions energy: -447.121
where: short stacking energy: -231.613
Base-Backbone interact. energy: 0.223
local terms energy: -263.864280
where:
bonds (distance) C4'-P energy: -56.948
bonds (distance) P-C4' energy: -63.870
flat angles C4'-P-C4' energy: -50.872
flat angles P-C4'-P energy: -37.086
tors. eta vs tors. theta energy: -55.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -625.709412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.709412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.709412 (E_RNA)
where:
Base-Base interactions energy: -365.171
where: short stacking energy: -174.009
Base-Backbone interact. energy: -0.519
local terms energy: -260.019111
where:
bonds (distance) C4'-P energy: -58.248
bonds (distance) P-C4' energy: -67.112
flat angles C4'-P-C4' energy: -61.244
flat angles P-C4'-P energy: -47.003
tors. eta vs tors. theta energy: -26.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -418.616323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.616323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.616323 (E_RNA)
where:
Base-Base interactions energy: -205.321
where: short stacking energy: -139.936
Base-Backbone interact. energy: 5.831
local terms energy: -219.126383
where:
bonds (distance) C4'-P energy: -48.544
bonds (distance) P-C4' energy: -65.576
flat angles C4'-P-C4' energy: -55.553
flat angles P-C4'-P energy: -30.561
tors. eta vs tors. theta energy: -18.892
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: 6
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -305.936586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.936586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.936586 (E_RNA)
where:
Base-Base interactions energy: -98.335
where: short stacking energy: -80.968
Base-Backbone interact. energy: -1.744
local terms energy: -205.857774
where:
bonds (distance) C4'-P energy: -58.578
bonds (distance) P-C4' energy: -70.443
flat angles C4'-P-C4' energy: -54.438
flat angles P-C4'-P energy: -27.476
tors. eta vs tors. theta energy: 5.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -385.019146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.019146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.019146 (E_RNA)
where:
Base-Base interactions energy: -191.516
where: short stacking energy: -128.610
Base-Backbone interact. energy: -3.042
local terms energy: -190.460787
where:
bonds (distance) C4'-P energy: -56.411
bonds (distance) P-C4' energy: -52.086
flat angles C4'-P-C4' energy: -46.868
flat angles P-C4'-P energy: -27.516
tors. eta vs tors. theta energy: -7.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1155.326372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.326372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.326372 (E_RNA)
where:
Base-Base interactions energy: -759.786
where: short stacking energy: -323.998
Base-Backbone interact. energy: -3.320
local terms energy: -392.220256
where:
bonds (distance) C4'-P energy: -81.332
bonds (distance) P-C4' energy: -73.674
flat angles C4'-P-C4' energy: -88.788
flat angles P-C4'-P energy: -54.599
tors. eta vs tors. theta energy: -93.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1109.446215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.446215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.446215 (E_RNA)
where:
Base-Base interactions energy: -749.054
where: short stacking energy: -323.106
Base-Backbone interact. energy: -2.348
local terms energy: -358.044871
where:
bonds (distance) C4'-P energy: -71.842
bonds (distance) P-C4' energy: -62.146
flat angles C4'-P-C4' energy: -82.742
flat angles P-C4'-P energy: -55.371
tors. eta vs tors. theta energy: -85.943
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: 2
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1065.450660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.450660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.450660 (E_RNA)
where:
Base-Base interactions energy: -722.521
where: short stacking energy: -313.995
Base-Backbone interact. energy: -0.904
local terms energy: -342.025464
where:
bonds (distance) C4'-P energy: -59.834
bonds (distance) P-C4' energy: -63.083
flat angles C4'-P-C4' energy: -86.543
flat angles P-C4'-P energy: -49.160
tors. eta vs tors. theta energy: -83.405
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: 1
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1016.237123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.237123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.237123 (E_RNA)
where:
Base-Base interactions energy: -669.776
where: short stacking energy: -303.355
Base-Backbone interact. energy: -0.716
local terms energy: -345.744923
where:
bonds (distance) C4'-P energy: -61.808
bonds (distance) P-C4' energy: -68.395
flat angles C4'-P-C4' energy: -75.498
flat angles P-C4'-P energy: -49.340
tors. eta vs tors. theta energy: -90.703
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: 5, replica: 4
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -859.187011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.187011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.187011 (E_RNA)
where:
Base-Base interactions energy: -532.442
where: short stacking energy: -254.071
Base-Backbone interact. energy: 1.907
local terms energy: -328.652447
where:
bonds (distance) C4'-P energy: -72.459
bonds (distance) P-C4' energy: -76.842
flat angles C4'-P-C4' energy: -80.075
flat angles P-C4'-P energy: -36.857
tors. eta vs tors. theta energy: -62.420
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: 3
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -737.035459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.035459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.035459 (E_RNA)
where:
Base-Base interactions energy: -445.138
where: short stacking energy: -226.916
Base-Backbone interact. energy: 2.462
local terms energy: -294.358632
where:
bonds (distance) C4'-P energy: -58.371
bonds (distance) P-C4' energy: -75.374
flat angles C4'-P-C4' energy: -75.646
flat angles P-C4'-P energy: -35.389
tors. eta vs tors. theta energy: -49.579
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: 9
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -671.485142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.485142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.485142 (E_RNA)
where:
Base-Base interactions energy: -412.804
where: short stacking energy: -186.776
Base-Backbone interact. energy: -1.033
local terms energy: -257.648499
where:
bonds (distance) C4'-P energy: -69.817
bonds (distance) P-C4' energy: -77.704
flat angles C4'-P-C4' energy: -44.535
flat angles P-C4'-P energy: -32.556
tors. eta vs tors. theta energy: -33.037
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: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -430.764311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.764311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.764311 (E_RNA)
where:
Base-Base interactions energy: -220.004
where: short stacking energy: -119.278
Base-Backbone interact. energy: 1.017
local terms energy: -211.777624
where:
bonds (distance) C4'-P energy: -57.103
bonds (distance) P-C4' energy: -58.675
flat angles C4'-P-C4' energy: -63.671
flat angles P-C4'-P energy: -37.677
tors. eta vs tors. theta energy: 5.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -364.876442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.876442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.876442 (E_RNA)
where:
Base-Base interactions energy: -160.435
where: short stacking energy: -90.882
Base-Backbone interact. energy: -0.161
local terms energy: -204.280414
where:
bonds (distance) C4'-P energy: -61.385
bonds (distance) P-C4' energy: -63.073
flat angles C4'-P-C4' energy: -63.345
flat angles P-C4'-P energy: -28.471
tors. eta vs tors. theta energy: 11.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -423.261007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.261007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.261007 (E_RNA)
where:
Base-Base interactions energy: -207.144
where: short stacking energy: -115.448
Base-Backbone interact. energy: -2.903
local terms energy: -213.213720
where:
bonds (distance) C4'-P energy: -53.728
bonds (distance) P-C4' energy: -62.885
flat angles C4'-P-C4' energy: -51.454
flat angles P-C4'-P energy: -37.368
tors. eta vs tors. theta energy: -7.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1174.924016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.924016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.924016 (E_RNA)
where:
Base-Base interactions energy: -794.655
where: short stacking energy: -329.970
Base-Backbone interact. energy: 0.598
local terms energy: -380.867342
where:
bonds (distance) C4'-P energy: -85.847
bonds (distance) P-C4' energy: -65.851
flat angles C4'-P-C4' energy: -82.218
flat angles P-C4'-P energy: -50.320
tors. eta vs tors. theta energy: -96.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1127.766181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.766181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.766181 (E_RNA)
where:
Base-Base interactions energy: -758.411
where: short stacking energy: -320.793
Base-Backbone interact. energy: -1.099
local terms energy: -368.255358
where:
bonds (distance) C4'-P energy: -69.555
bonds (distance) P-C4' energy: -74.901
flat angles C4'-P-C4' energy: -84.644
flat angles P-C4'-P energy: -53.280
tors. eta vs tors. theta energy: -85.876
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: 2
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1042.480710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.480710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.480710 (E_RNA)
where:
Base-Base interactions energy: -733.871
where: short stacking energy: -312.033
Base-Backbone interact. energy: -0.720
local terms energy: -307.889305
where:
bonds (distance) C4'-P energy: -75.032
bonds (distance) P-C4' energy: -54.929
flat angles C4'-P-C4' energy: -63.761
flat angles P-C4'-P energy: -40.735
tors. eta vs tors. theta energy: -73.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -991.763295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.763295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.763295 (E_RNA)
where:
Base-Base interactions energy: -659.817
where: short stacking energy: -314.765
Base-Backbone interact. energy: -1.166
local terms energy: -330.779544
where:
bonds (distance) C4'-P energy: -64.838
bonds (distance) P-C4' energy: -62.154
flat angles C4'-P-C4' energy: -71.100
flat angles P-C4'-P energy: -33.850
tors. eta vs tors. theta energy: -98.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -807.342644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.342644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.342644 (E_RNA)
where:
Base-Base interactions energy: -495.050
where: short stacking energy: -235.153
Base-Backbone interact. energy: -2.157
local terms energy: -310.135898
where:
bonds (distance) C4'-P energy: -61.324
bonds (distance) P-C4' energy: -74.026
flat angles C4'-P-C4' energy: -71.438
flat angles P-C4'-P energy: -46.355
tors. eta vs tors. theta energy: -56.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -819.549535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.549535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.549535 (E_RNA)
where:
Base-Base interactions energy: -525.502
where: short stacking energy: -242.837
Base-Backbone interact. energy: 0.924
local terms energy: -294.971097
where:
bonds (distance) C4'-P energy: -68.141
bonds (distance) P-C4' energy: -75.547
flat angles C4'-P-C4' energy: -60.136
flat angles P-C4'-P energy: -38.847
tors. eta vs tors. theta energy: -52.299
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: 9
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -640.334003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.334003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.334003 (E_RNA)
where:
Base-Base interactions energy: -368.309
where: short stacking energy: -182.072
Base-Backbone interact. energy: -2.938
local terms energy: -269.087358
where:
bonds (distance) C4'-P energy: -73.494
bonds (distance) P-C4' energy: -65.760
flat angles C4'-P-C4' energy: -56.682
flat angles P-C4'-P energy: -38.614
tors. eta vs tors. theta energy: -34.538
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: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -399.629799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.629799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.629799 (E_RNA)
where:
Base-Base interactions energy: -172.540
where: short stacking energy: -94.536
Base-Backbone interact. energy: -0.121
local terms energy: -226.968821
where:
bonds (distance) C4'-P energy: -64.913
bonds (distance) P-C4' energy: -75.427
flat angles C4'-P-C4' energy: -50.565
flat angles P-C4'-P energy: -34.015
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: 9, replica: 6
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -361.984946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.984946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.984946 (E_RNA)
where:
Base-Base interactions energy: -123.780
where: short stacking energy: -90.078
Base-Backbone interact. energy: -1.950
local terms energy: -236.254993
where:
bonds (distance) C4'-P energy: -57.357
bonds (distance) P-C4' energy: -77.279
flat angles C4'-P-C4' energy: -59.910
flat angles P-C4'-P energy: -39.727
tors. eta vs tors. theta energy: -1.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -346.138712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.138712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.138712 (E_RNA)
where:
Base-Base interactions energy: -140.219
where: short stacking energy: -92.368
Base-Backbone interact. energy: -1.489
local terms energy: -204.430109
where:
bonds (distance) C4'-P energy: -58.647
bonds (distance) P-C4' energy: -66.739
flat angles C4'-P-C4' energy: -55.764
flat angles P-C4'-P energy: -29.644
tors. eta vs tors. theta energy: 6.364
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: 5
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1165.695245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.695245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.695245 (E_RNA)
where:
Base-Base interactions energy: -776.272
where: short stacking energy: -328.094
Base-Backbone interact. energy: -2.002
local terms energy: -387.421209
where:
bonds (distance) C4'-P energy: -77.703
bonds (distance) P-C4' energy: -74.790
flat angles C4'-P-C4' energy: -82.813
flat angles P-C4'-P energy: -55.023
tors. eta vs tors. theta energy: -97.092
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: 7
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1147.413339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.413339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.413339 (E_RNA)
where:
Base-Base interactions energy: -788.674
where: short stacking energy: -331.429
Base-Backbone interact. energy: -0.160
local terms energy: -358.578748
where:
bonds (distance) C4'-P energy: -70.261
bonds (distance) P-C4' energy: -68.482
flat angles C4'-P-C4' energy: -76.005
flat angles P-C4'-P energy: -53.224
tors. eta vs tors. theta energy: -90.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1062.432671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.432671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.432671 (E_RNA)
where:
Base-Base interactions energy: -699.002
where: short stacking energy: -288.988
Base-Backbone interact. energy: -5.264
local terms energy: -358.167291
where:
bonds (distance) C4'-P energy: -76.820
bonds (distance) P-C4' energy: -67.984
flat angles C4'-P-C4' energy: -81.884
flat angles P-C4'-P energy: -54.299
tors. eta vs tors. theta energy: -77.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -950.869335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.869335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.869335 (E_RNA)
where:
Base-Base interactions energy: -625.487
where: short stacking energy: -275.697
Base-Backbone interact. energy: -0.760
local terms energy: -324.621840
where:
bonds (distance) C4'-P energy: -76.169
bonds (distance) P-C4' energy: -64.287
flat angles C4'-P-C4' energy: -67.484
flat angles P-C4'-P energy: -46.599
tors. eta vs tors. theta energy: -70.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -781.023120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.023120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.023120 (E_RNA)
where:
Base-Base interactions energy: -490.149
where: short stacking energy: -230.854
Base-Backbone interact. energy: 0.936
local terms energy: -291.809449
where:
bonds (distance) C4'-P energy: -63.221
bonds (distance) P-C4' energy: -61.247
flat angles C4'-P-C4' energy: -66.524
flat angles P-C4'-P energy: -44.843
tors. eta vs tors. theta energy: -55.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -860.468542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.468542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.468542 (E_RNA)
where:
Base-Base interactions energy: -559.323
where: short stacking energy: -232.852
Base-Backbone interact. energy: -0.470
local terms energy: -300.676088
where:
bonds (distance) C4'-P energy: -60.214
bonds (distance) P-C4' energy: -76.382
flat angles C4'-P-C4' energy: -68.358
flat angles P-C4'-P energy: -49.628
tors. eta vs tors. theta energy: -46.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -663.889165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.889165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.889165 (E_RNA)
where:
Base-Base interactions energy: -392.378
where: short stacking energy: -192.209
Base-Backbone interact. energy: -1.201
local terms energy: -270.310244
where:
bonds (distance) C4'-P energy: -58.215
bonds (distance) P-C4' energy: -61.272
flat angles C4'-P-C4' energy: -81.640
flat angles P-C4'-P energy: -33.614
tors. eta vs tors. theta energy: -35.570
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: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -439.401434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.401434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.401434 (E_RNA)
where:
Base-Base interactions energy: -222.875
where: short stacking energy: -120.914
Base-Backbone interact. energy: -0.258
local terms energy: -216.268473
where:
bonds (distance) C4'-P energy: -62.719
bonds (distance) P-C4' energy: -55.711
flat angles C4'-P-C4' energy: -46.867
flat angles P-C4'-P energy: -40.060
tors. eta vs tors. theta energy: -10.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -378.571974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.571974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.571974 (E_RNA)
where:
Base-Base interactions energy: -149.527
where: short stacking energy: -104.618
Base-Backbone interact. energy: -2.261
local terms energy: -226.783309
where:
bonds (distance) C4'-P energy: -69.507
bonds (distance) P-C4' energy: -65.175
flat angles C4'-P-C4' energy: -52.323
flat angles P-C4'-P energy: -36.374
tors. eta vs tors. theta energy: -3.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -359.029812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.029812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.029812 (E_RNA)
where:
Base-Base interactions energy: -155.410
where: short stacking energy: -97.257
Base-Backbone interact. energy: 0.336
local terms energy: -203.956546
where:
bonds (distance) C4'-P energy: -63.712
bonds (distance) P-C4' energy: -72.340
flat angles C4'-P-C4' energy: -59.216
flat angles P-C4'-P energy: -30.340
tors. eta vs tors. theta energy: 21.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1169.303771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.303771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.303771 (E_RNA)
where:
Base-Base interactions energy: -802.759
where: short stacking energy: -341.852
Base-Backbone interact. energy: 0.772
local terms energy: -367.317369
where:
bonds (distance) C4'-P energy: -67.211
bonds (distance) P-C4' energy: -79.804
flat angles C4'-P-C4' energy: -69.237
flat angles P-C4'-P energy: -52.018
tors. eta vs tors. theta energy: -99.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1130.908734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.908734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.908734 (E_RNA)
where:
Base-Base interactions energy: -767.877
where: short stacking energy: -324.527
Base-Backbone interact. energy: -0.378
local terms energy: -362.653947
where:
bonds (distance) C4'-P energy: -68.352
bonds (distance) P-C4' energy: -81.294
flat angles C4'-P-C4' energy: -84.502
flat angles P-C4'-P energy: -40.996
tors. eta vs tors. theta energy: -87.509
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: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1069.616361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.616361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.616361 (E_RNA)
where:
Base-Base interactions energy: -755.071
where: short stacking energy: -331.466
Base-Backbone interact. energy: 2.027
local terms energy: -316.572857
where:
bonds (distance) C4'-P energy: -60.238
bonds (distance) P-C4' energy: -60.161
flat angles C4'-P-C4' energy: -76.012
flat angles P-C4'-P energy: -43.206
tors. eta vs tors. theta energy: -76.956
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: 4, replica: 1
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -953.486226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.486226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.486226 (E_RNA)
where:
Base-Base interactions energy: -611.976
where: short stacking energy: -284.336
Base-Backbone interact. energy: -0.706
local terms energy: -340.804590
where:
bonds (distance) C4'-P energy: -60.962
bonds (distance) P-C4' energy: -64.049
flat angles C4'-P-C4' energy: -80.225
flat angles P-C4'-P energy: -47.891
tors. eta vs tors. theta energy: -87.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -910.152265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.152265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.152265 (E_RNA)
where:
Base-Base interactions energy: -596.597
where: short stacking energy: -261.179
Base-Backbone interact. energy: 0.391
local terms energy: -313.946357
where:
bonds (distance) C4'-P energy: -61.716
bonds (distance) P-C4' energy: -80.522
flat angles C4'-P-C4' energy: -63.050
flat angles P-C4'-P energy: -38.109
tors. eta vs tors. theta energy: -70.551
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: 4
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -764.336003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.336003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.336003 (E_RNA)
where:
Base-Base interactions energy: -475.320
where: short stacking energy: -227.578
Base-Backbone interact. energy: -1.158
local terms energy: -287.858391
where:
bonds (distance) C4'-P energy: -67.118
bonds (distance) P-C4' energy: -68.689
flat angles C4'-P-C4' energy: -64.715
flat angles P-C4'-P energy: -40.410
tors. eta vs tors. theta energy: -46.927
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: 7, replica: 9
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -645.140855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.140855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.140855 (E_RNA)
where:
Base-Base interactions energy: -389.348
where: short stacking energy: -163.599
Base-Backbone interact. energy: -3.370
local terms energy: -252.422587
where:
bonds (distance) C4'-P energy: -64.358
bonds (distance) P-C4' energy: -60.813
flat angles C4'-P-C4' energy: -56.102
flat angles P-C4'-P energy: -34.937
tors. eta vs tors. theta energy: -36.212
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: 8
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -474.592595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.592595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.592595 (E_RNA)
where:
Base-Base interactions energy: -218.545
where: short stacking energy: -114.856
Base-Backbone interact. energy: 1.222
local terms energy: -257.269423
where:
bonds (distance) C4'-P energy: -66.902
bonds (distance) P-C4' energy: -70.984
flat angles C4'-P-C4' energy: -66.542
flat angles P-C4'-P energy: -35.777
tors. eta vs tors. theta energy: -17.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -397.607862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.607862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.607862 (E_RNA)
where:
Base-Base interactions energy: -191.903
where: short stacking energy: -126.731
Base-Backbone interact. energy: -1.165
local terms energy: -204.540178
where:
bonds (distance) C4'-P energy: -61.697
bonds (distance) P-C4' energy: -54.548
flat angles C4'-P-C4' energy: -50.131
flat angles P-C4'-P energy: -23.680
tors. eta vs tors. theta energy: -14.485
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: 6
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -367.320137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.320137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.320137 (E_RNA)
where:
Base-Base interactions energy: -163.566
where: short stacking energy: -85.189
Base-Backbone interact. energy: -1.477
local terms energy: -202.277287
where:
bonds (distance) C4'-P energy: -66.199
bonds (distance) P-C4' energy: -57.626
flat angles C4'-P-C4' energy: -48.830
flat angles P-C4'-P energy: -27.056
tors. eta vs tors. theta energy: -2.566
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: 57
Temperature: 0.900000
Total energy: -1169.172394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.172394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.172394 (E_RNA)
where:
Base-Base interactions energy: -789.149
where: short stacking energy: -325.608
Base-Backbone interact. energy: -1.269
local terms energy: -378.753970
where:
bonds (distance) C4'-P energy: -73.707
bonds (distance) P-C4' energy: -82.748
flat angles C4'-P-C4' energy: -77.123
flat angles P-C4'-P energy: -43.853
tors. eta vs tors. theta energy: -101.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1153.446259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.446259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.446259 (E_RNA)
where:
Base-Base interactions energy: -782.284
where: short stacking energy: -332.119
Base-Backbone interact. energy: -3.851
local terms energy: -367.311262
where:
bonds (distance) C4'-P energy: -64.121
bonds (distance) P-C4' energy: -79.832
flat angles C4'-P-C4' energy: -76.745
flat angles P-C4'-P energy: -50.892
tors. eta vs tors. theta energy: -95.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1057.107271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.107271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.107271 (E_RNA)
where:
Base-Base interactions energy: -721.145
where: short stacking energy: -316.494
Base-Backbone interact. energy: -3.419
local terms energy: -332.543660
where:
bonds (distance) C4'-P energy: -71.782
bonds (distance) P-C4' energy: -65.450
flat angles C4'-P-C4' energy: -68.689
flat angles P-C4'-P energy: -52.215
tors. eta vs tors. theta energy: -74.407
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: 1
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -986.154845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.154845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.154845 (E_RNA)
where:
Base-Base interactions energy: -646.200
where: short stacking energy: -278.011
Base-Backbone interact. energy: 0.276
local terms energy: -340.230746
where:
bonds (distance) C4'-P energy: -74.805
bonds (distance) P-C4' energy: -65.057
flat angles C4'-P-C4' energy: -73.965
flat angles P-C4'-P energy: -45.458
tors. eta vs tors. theta energy: -80.947
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: 3
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -915.164434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.164434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.164434 (E_RNA)
where:
Base-Base interactions energy: -583.950
where: short stacking energy: -264.129
Base-Backbone interact. energy: 1.798
local terms energy: -333.012727
where:
bonds (distance) C4'-P energy: -64.418
bonds (distance) P-C4' energy: -65.974
flat angles C4'-P-C4' energy: -77.714
flat angles P-C4'-P energy: -51.835
tors. eta vs tors. theta energy: -73.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -722.946484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.946484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.946484 (E_RNA)
where:
Base-Base interactions energy: -428.486
where: short stacking energy: -192.208
Base-Backbone interact. energy: -1.988
local terms energy: -292.473112
where:
bonds (distance) C4'-P energy: -73.736
bonds (distance) P-C4' energy: -69.942
flat angles C4'-P-C4' energy: -61.401
flat angles P-C4'-P energy: -48.304
tors. eta vs tors. theta energy: -39.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -670.705723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.705723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.705723 (E_RNA)
where:
Base-Base interactions energy: -398.068
where: short stacking energy: -174.128
Base-Backbone interact. energy: 1.353
local terms energy: -273.990401
where:
bonds (distance) C4'-P energy: -71.427
bonds (distance) P-C4' energy: -65.209
flat angles C4'-P-C4' energy: -68.452
flat angles P-C4'-P energy: -33.944
tors. eta vs tors. theta energy: -34.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -415.623632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.623632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.623632 (E_RNA)
where:
Base-Base interactions energy: -204.356
where: short stacking energy: -87.471
Base-Backbone interact. energy: 1.180
local terms energy: -212.447795
where:
bonds (distance) C4'-P energy: -57.784
bonds (distance) P-C4' energy: -74.983
flat angles C4'-P-C4' energy: -50.682
flat angles P-C4'-P energy: -38.203
tors. eta vs tors. theta energy: 9.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -453.330220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.330220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.330220 (E_RNA)
where:
Base-Base interactions energy: -242.732
where: short stacking energy: -129.683
Base-Backbone interact. energy: 2.733
local terms energy: -213.330372
where:
bonds (distance) C4'-P energy: -62.268
bonds (distance) P-C4' energy: -64.076
flat angles C4'-P-C4' energy: -54.273
flat angles P-C4'-P energy: -23.071
tors. eta vs tors. theta energy: -9.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -387.162736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.162736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.162736 (E_RNA)
where:
Base-Base interactions energy: -196.823
where: short stacking energy: -110.412
Base-Backbone interact. energy: 0.817
local terms energy: -191.156438
where:
bonds (distance) C4'-P energy: -46.731
bonds (distance) P-C4' energy: -70.661
flat angles C4'-P-C4' energy: -38.333
flat angles P-C4'-P energy: -33.900
tors. eta vs tors. theta energy: -1.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1212.254593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.254593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.254593 (E_RNA)
where:
Base-Base interactions energy: -829.462
where: short stacking energy: -355.865
Base-Backbone interact. energy: -2.267
local terms energy: -380.525465
where:
bonds (distance) C4'-P energy: -81.797
bonds (distance) P-C4' energy: -66.715
flat angles C4'-P-C4' energy: -78.131
flat angles P-C4'-P energy: -56.585
tors. eta vs tors. theta energy: -97.297
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: 5
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1124.989578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.989578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.989578 (E_RNA)
where:
Base-Base interactions energy: -756.296
where: short stacking energy: -329.264
Base-Backbone interact. energy: 1.651
local terms energy: -370.344067
where:
bonds (distance) C4'-P energy: -67.672
bonds (distance) P-C4' energy: -71.619
flat angles C4'-P-C4' energy: -87.953
flat angles P-C4'-P energy: -45.606
tors. eta vs tors. theta energy: -97.494
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: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1080.943792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.943792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.943792 (E_RNA)
where:
Base-Base interactions energy: -736.799
where: short stacking energy: -306.592
Base-Backbone interact. energy: 4.070
local terms energy: -348.214768
where:
bonds (distance) C4'-P energy: -69.933
bonds (distance) P-C4' energy: -73.640
flat angles C4'-P-C4' energy: -72.129
flat angles P-C4'-P energy: -51.672
tors. eta vs tors. theta energy: -80.840
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: 1
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1020.576673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.576673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.576673 (E_RNA)
where:
Base-Base interactions energy: -659.714
where: short stacking energy: -314.265
Base-Backbone interact. energy: -1.795
local terms energy: -359.067400
where:
bonds (distance) C4'-P energy: -62.321
bonds (distance) P-C4' energy: -70.995
flat angles C4'-P-C4' energy: -78.977
flat angles P-C4'-P energy: -50.513
tors. eta vs tors. theta energy: -96.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -939.044664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.044664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.044664 (E_RNA)
where:
Base-Base interactions energy: -625.287
where: short stacking energy: -275.749
Base-Backbone interact. energy: -0.707
local terms energy: -313.051158
where:
bonds (distance) C4'-P energy: -59.565
bonds (distance) P-C4' energy: -66.531
flat angles C4'-P-C4' energy: -71.174
flat angles P-C4'-P energy: -37.346
tors. eta vs tors. theta energy: -78.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -734.904459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.904459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.904459 (E_RNA)
where:
Base-Base interactions energy: -453.826
where: short stacking energy: -195.983
Base-Backbone interact. energy: -0.019
local terms energy: -281.060281
where:
bonds (distance) C4'-P energy: -63.821
bonds (distance) P-C4' energy: -69.441
flat angles C4'-P-C4' energy: -63.062
flat angles P-C4'-P energy: -39.822
tors. eta vs tors. theta energy: -44.914
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: 9
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -661.097116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.097116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.097116 (E_RNA)
where:
Base-Base interactions energy: -397.147
where: short stacking energy: -173.246
Base-Backbone interact. energy: -0.485
local terms energy: -263.465349
where:
bonds (distance) C4'-P energy: -60.522
bonds (distance) P-C4' energy: -61.698
flat angles C4'-P-C4' energy: -67.644
flat angles P-C4'-P energy: -33.090
tors. eta vs tors. theta energy: -40.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -523.788433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.788433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.788433 (E_RNA)
where:
Base-Base interactions energy: -294.342
where: short stacking energy: -146.282
Base-Backbone interact. energy: -1.821
local terms energy: -227.625490
where:
bonds (distance) C4'-P energy: -56.869
bonds (distance) P-C4' energy: -69.910
flat angles C4'-P-C4' energy: -54.265
flat angles P-C4'-P energy: -31.586
tors. eta vs tors. theta energy: -14.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -415.997998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.997998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.997998 (E_RNA)
where:
Base-Base interactions energy: -213.942
where: short stacking energy: -117.630
Base-Backbone interact. energy: 0.837
local terms energy: -202.893638
where:
bonds (distance) C4'-P energy: -66.455
bonds (distance) P-C4' energy: -54.905
flat angles C4'-P-C4' energy: -35.861
flat angles P-C4'-P energy: -29.583
tors. eta vs tors. theta energy: -16.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -337.996573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.996573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.996573 (E_RNA)
where:
Base-Base interactions energy: -156.235
where: short stacking energy: -104.274
Base-Backbone interact. energy: -1.785
local terms energy: -179.977157
where:
bonds (distance) C4'-P energy: -62.171
bonds (distance) P-C4' energy: -62.034
flat angles C4'-P-C4' energy: -42.872
flat angles P-C4'-P energy: -19.734
tors. eta vs tors. theta energy: 6.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1199.954774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.954774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.954774 (E_RNA)
where:
Base-Base interactions energy: -828.441
where: short stacking energy: -349.019
Base-Backbone interact. energy: -2.442
local terms energy: -369.071547
where:
bonds (distance) C4'-P energy: -62.693
bonds (distance) P-C4' energy: -79.065
flat angles C4'-P-C4' energy: -74.880
flat angles P-C4'-P energy: -48.444
tors. eta vs tors. theta energy: -103.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1115.496438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.496438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.496438 (E_RNA)
where:
Base-Base interactions energy: -741.201
where: short stacking energy: -310.377
Base-Backbone interact. energy: -3.052
local terms energy: -371.243123
where:
bonds (distance) C4'-P energy: -71.411
bonds (distance) P-C4' energy: -73.755
flat angles C4'-P-C4' energy: -87.545
flat angles P-C4'-P energy: -53.623
tors. eta vs tors. theta energy: -84.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -1103.924521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.924521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.924521 (E_RNA)
where:
Base-Base interactions energy: -751.572
where: short stacking energy: -305.274
Base-Backbone interact. energy: -2.161
local terms energy: -350.191873
where:
bonds (distance) C4'-P energy: -74.481
bonds (distance) P-C4' energy: -62.321
flat angles C4'-P-C4' energy: -79.179
flat angles P-C4'-P energy: -54.155
tors. eta vs tors. theta energy: -80.055
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: 1
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1015.113877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.113877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.113877 (E_RNA)
where:
Base-Base interactions energy: -650.607
where: short stacking energy: -305.142
Base-Backbone interact. energy: -2.407
local terms energy: -362.099584
where:
bonds (distance) C4'-P energy: -67.905
bonds (distance) P-C4' energy: -66.543
flat angles C4'-P-C4' energy: -73.262
flat angles P-C4'-P energy: -54.769
tors. eta vs tors. theta energy: -99.621
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: 3
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -946.352421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.352421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.352421 (E_RNA)
where:
Base-Base interactions energy: -611.569
where: short stacking energy: -277.921
Base-Backbone interact. energy: -1.422
local terms energy: -333.361183
where:
bonds (distance) C4'-P energy: -67.823
bonds (distance) P-C4' energy: -71.877
flat angles C4'-P-C4' energy: -75.812
flat angles P-C4'-P energy: -43.588
tors. eta vs tors. theta energy: -74.260
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: 6, replica: 4
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -710.011843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.011843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.011843 (E_RNA)
where:
Base-Base interactions energy: -423.288
where: short stacking energy: -213.521
Base-Backbone interact. energy: 1.812
local terms energy: -288.535961
where:
bonds (distance) C4'-P energy: -63.920
bonds (distance) P-C4' energy: -60.953
flat angles C4'-P-C4' energy: -67.407
flat angles P-C4'-P energy: -47.140
tors. eta vs tors. theta energy: -49.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -666.369154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.369154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.369154 (E_RNA)
where:
Base-Base interactions energy: -392.840
where: short stacking energy: -207.545
Base-Backbone interact. energy: -1.387
local terms energy: -272.142707
where:
bonds (distance) C4'-P energy: -56.796
bonds (distance) P-C4' energy: -68.312
flat angles C4'-P-C4' energy: -77.679
flat angles P-C4'-P energy: -37.403
tors. eta vs tors. theta energy: -31.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -598.703144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.703144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.703144 (E_RNA)
where:
Base-Base interactions energy: -342.236
where: short stacking energy: -163.708
Base-Backbone interact. energy: -1.801
local terms energy: -254.666340
where:
bonds (distance) C4'-P energy: -66.343
bonds (distance) P-C4' energy: -67.699
flat angles C4'-P-C4' energy: -54.644
flat angles P-C4'-P energy: -36.196
tors. eta vs tors. theta energy: -29.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -405.589219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.589219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.589219 (E_RNA)
where:
Base-Base interactions energy: -195.481
where: short stacking energy: -124.947
Base-Backbone interact. energy: 0.526
local terms energy: -210.633836
where:
bonds (distance) C4'-P energy: -51.141
bonds (distance) P-C4' energy: -60.618
flat angles C4'-P-C4' energy: -47.386
flat angles P-C4'-P energy: -41.143
tors. eta vs tors. theta energy: -10.345
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: 6
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -333.311538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.311538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.311538 (E_RNA)
where:
Base-Base interactions energy: -135.323
where: short stacking energy: -95.672
Base-Backbone interact. energy: -1.167
local terms energy: -196.821210
where:
bonds (distance) C4'-P energy: -57.111
bonds (distance) P-C4' energy: -59.710
flat angles C4'-P-C4' energy: -43.526
flat angles P-C4'-P energy: -35.807
tors. eta vs tors. theta energy: -0.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1225.500292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.500292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.500292 (E_RNA)
where:
Base-Base interactions energy: -819.945
where: short stacking energy: -361.727
Base-Backbone interact. energy: -1.963
local terms energy: -403.591749
where:
bonds (distance) C4'-P energy: -74.492
bonds (distance) P-C4' energy: -75.371
flat angles C4'-P-C4' energy: -81.241
flat angles P-C4'-P energy: -60.616
tors. eta vs tors. theta energy: -111.872
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: 5
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1128.654904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.654904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.654904 (E_RNA)
where:
Base-Base interactions energy: -764.196
where: short stacking energy: -317.652
Base-Backbone interact. energy: -2.644
local terms energy: -361.814411
where:
bonds (distance) C4'-P energy: -68.420
bonds (distance) P-C4' energy: -74.808
flat angles C4'-P-C4' energy: -78.547
flat angles P-C4'-P energy: -49.443
tors. eta vs tors. theta energy: -90.596
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: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1067.622826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.622826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.622826 (E_RNA)
where:
Base-Base interactions energy: -735.526
where: short stacking energy: -293.968
Base-Backbone interact. energy: -0.506
local terms energy: -331.590860
where:
bonds (distance) C4'-P energy: -67.535
bonds (distance) P-C4' energy: -66.128
flat angles C4'-P-C4' energy: -74.440
flat angles P-C4'-P energy: -49.965
tors. eta vs tors. theta energy: -73.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1034.204503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.204503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.204503 (E_RNA)
where:
Base-Base interactions energy: -674.009
where: short stacking energy: -302.790
Base-Backbone interact. energy: -1.461
local terms energy: -358.734132
where:
bonds (distance) C4'-P energy: -73.017
bonds (distance) P-C4' energy: -59.091
flat angles C4'-P-C4' energy: -82.905
flat angles P-C4'-P energy: -59.524
tors. eta vs tors. theta energy: -84.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -947.127968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.127968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.127968 (E_RNA)
where:
Base-Base interactions energy: -616.976
where: short stacking energy: -275.563
Base-Backbone interact. energy: -1.660
local terms energy: -328.491880
where:
bonds (distance) C4'-P energy: -69.473
bonds (distance) P-C4' energy: -66.505
flat angles C4'-P-C4' energy: -73.740
flat angles P-C4'-P energy: -42.662
tors. eta vs tors. theta energy: -76.112
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: 4
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -708.185763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.185763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.185763 (E_RNA)
where:
Base-Base interactions energy: -416.491
where: short stacking energy: -214.810
Base-Backbone interact. energy: -0.763
local terms energy: -290.931799
where:
bonds (distance) C4'-P energy: -58.696
bonds (distance) P-C4' energy: -68.511
flat angles C4'-P-C4' energy: -72.801
flat angles P-C4'-P energy: -40.035
tors. eta vs tors. theta energy: -50.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -683.942220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.942220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.942220 (E_RNA)
where:
Base-Base interactions energy: -397.299
where: short stacking energy: -190.033
Base-Backbone interact. energy: -0.058
local terms energy: -286.585325
where:
bonds (distance) C4'-P energy: -69.122
bonds (distance) P-C4' energy: -69.032
flat angles C4'-P-C4' energy: -67.087
flat angles P-C4'-P energy: -39.579
tors. eta vs tors. theta energy: -41.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -615.571980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.571980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.571980 (E_RNA)
where:
Base-Base interactions energy: -384.327
where: short stacking energy: -147.055
Base-Backbone interact. energy: -1.191
local terms energy: -230.053849
where:
bonds (distance) C4'-P energy: -71.053
bonds (distance) P-C4' energy: -56.026
flat angles C4'-P-C4' energy: -55.103
flat angles P-C4'-P energy: -37.908
tors. eta vs tors. theta energy: -9.964
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: 8
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -387.175474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.175474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.175474 (E_RNA)
where:
Base-Base interactions energy: -171.301
where: short stacking energy: -110.073
Base-Backbone interact. energy: 0.289
local terms energy: -216.163503
where:
bonds (distance) C4'-P energy: -64.310
bonds (distance) P-C4' energy: -67.511
flat angles C4'-P-C4' energy: -50.678
flat angles P-C4'-P energy: -22.925
tors. eta vs tors. theta energy: -10.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -279.888556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.888556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.888556 (E_RNA)
where:
Base-Base interactions energy: -75.660
where: short stacking energy: -67.823
Base-Backbone interact. energy: -0.883
local terms energy: -203.346086
where:
bonds (distance) C4'-P energy: -57.964
bonds (distance) P-C4' energy: -76.313
flat angles C4'-P-C4' energy: -48.874
flat angles P-C4'-P energy: -29.130
tors. eta vs tors. theta energy: 8.936
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: 7
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1184.241470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.241470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.241470 (E_RNA)
where:
Base-Base interactions energy: -795.139
where: short stacking energy: -340.075
Base-Backbone interact. energy: -1.284
local terms energy: -387.818591
where:
bonds (distance) C4'-P energy: -75.553
bonds (distance) P-C4' energy: -70.012
flat angles C4'-P-C4' energy: -82.583
flat angles P-C4'-P energy: -56.167
tors. eta vs tors. theta energy: -103.503
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: 2, replica: 2
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1079.372863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.372863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.372863 (E_RNA)
where:
Base-Base interactions energy: -736.113
where: short stacking energy: -306.329
Base-Backbone interact. energy: -1.323
local terms energy: -341.936885
where:
bonds (distance) C4'-P energy: -66.486
bonds (distance) P-C4' energy: -74.977
flat angles C4'-P-C4' energy: -78.665
flat angles P-C4'-P energy: -39.786
tors. eta vs tors. theta energy: -82.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1064.694659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.694659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.694659 (E_RNA)
where:
Base-Base interactions energy: -709.441
where: short stacking energy: -309.100
Base-Backbone interact. energy: 1.787
local terms energy: -357.040044
where:
bonds (distance) C4'-P energy: -61.586
bonds (distance) P-C4' energy: -80.344
flat angles C4'-P-C4' energy: -82.331
flat angles P-C4'-P energy: -49.844
tors. eta vs tors. theta energy: -82.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1026.346369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.346369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.346369 (E_RNA)
where:
Base-Base interactions energy: -676.021
where: short stacking energy: -320.314
Base-Backbone interact. energy: -0.273
local terms energy: -350.052185
where:
bonds (distance) C4'-P energy: -71.884
bonds (distance) P-C4' energy: -61.263
flat angles C4'-P-C4' energy: -81.529
flat angles P-C4'-P energy: -47.877
tors. eta vs tors. theta energy: -87.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -962.530652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.530652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.530652 (E_RNA)
where:
Base-Base interactions energy: -647.696
where: short stacking energy: -290.121
Base-Backbone interact. energy: -3.432
local terms energy: -311.403407
where:
bonds (distance) C4'-P energy: -55.822
bonds (distance) P-C4' energy: -64.824
flat angles C4'-P-C4' energy: -70.432
flat angles P-C4'-P energy: -45.351
tors. eta vs tors. theta energy: -74.974
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: 4
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -797.107792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.107792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.107792 (E_RNA)
where:
Base-Base interactions energy: -515.953
where: short stacking energy: -226.412
Base-Backbone interact. energy: 0.484
local terms energy: -281.638802
where:
bonds (distance) C4'-P energy: -64.513
bonds (distance) P-C4' energy: -57.643
flat angles C4'-P-C4' energy: -72.749
flat angles P-C4'-P energy: -42.851
tors. eta vs tors. theta energy: -43.882
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: 9
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -652.626868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.626868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.626868 (E_RNA)
where:
Base-Base interactions energy: -408.916
where: short stacking energy: -189.477
Base-Backbone interact. energy: -1.016
local terms energy: -242.694579
where:
bonds (distance) C4'-P energy: -37.676
bonds (distance) P-C4' energy: -68.137
flat angles C4'-P-C4' energy: -61.757
flat angles P-C4'-P energy: -40.221
tors. eta vs tors. theta energy: -34.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -644.773640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.773640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.773640 (E_RNA)
where:
Base-Base interactions energy: -387.370
where: short stacking energy: -195.128
Base-Backbone interact. energy: -1.745
local terms energy: -255.658215
where:
bonds (distance) C4'-P energy: -64.477
bonds (distance) P-C4' energy: -72.041
flat angles C4'-P-C4' energy: -55.416
flat angles P-C4'-P energy: -31.951
tors. eta vs tors. theta energy: -31.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -331.133647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.133647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.133647 (E_RNA)
where:
Base-Base interactions energy: -124.098
where: short stacking energy: -88.825
Base-Backbone interact. energy: -2.423
local terms energy: -204.611925
where:
bonds (distance) C4'-P energy: -58.169
bonds (distance) P-C4' energy: -57.659
flat angles C4'-P-C4' energy: -47.321
flat angles P-C4'-P energy: -43.580
tors. eta vs tors. theta energy: 2.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -301.372225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.372225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.372225 (E_RNA)
where:
Base-Base interactions energy: -102.295
where: short stacking energy: -100.176
Base-Backbone interact. energy: 0.135
local terms energy: -199.212080
where:
bonds (distance) C4'-P energy: -54.261
bonds (distance) P-C4' energy: -55.932
flat angles C4'-P-C4' energy: -52.026
flat angles P-C4'-P energy: -33.624
tors. eta vs tors. theta energy: -3.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1192.925267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.925267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.925267 (E_RNA)
where:
Base-Base interactions energy: -819.446
where: short stacking energy: -350.786
Base-Backbone interact. energy: 1.101
local terms energy: -374.579901
where:
bonds (distance) C4'-P energy: -77.189
bonds (distance) P-C4' energy: -73.749
flat angles C4'-P-C4' energy: -75.843
flat angles P-C4'-P energy: -50.683
tors. eta vs tors. theta energy: -97.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1099.147672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.147672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.147672 (E_RNA)
where:
Base-Base interactions energy: -747.454
where: short stacking energy: -311.487
Base-Backbone interact. energy: -0.172
local terms energy: -351.521152
where:
bonds (distance) C4'-P energy: -71.766
bonds (distance) P-C4' energy: -69.223
flat angles C4'-P-C4' energy: -75.325
flat angles P-C4'-P energy: -50.220
tors. eta vs tors. theta energy: -84.988
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: 5
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1086.059279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.059279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.059279 (E_RNA)
where:
Base-Base interactions energy: -709.687
where: short stacking energy: -302.113
Base-Backbone interact. energy: -1.884
local terms energy: -374.488527
where:
bonds (distance) C4'-P energy: -80.033
bonds (distance) P-C4' energy: -82.309
flat angles C4'-P-C4' energy: -76.464
flat angles P-C4'-P energy: -53.070
tors. eta vs tors. theta energy: -82.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1033.579944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.579944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.579944 (E_RNA)
where:
Base-Base interactions energy: -667.642
where: short stacking energy: -311.835
Base-Backbone interact. energy: -0.675
local terms energy: -365.263044
where:
bonds (distance) C4'-P energy: -77.651
bonds (distance) P-C4' energy: -69.402
flat angles C4'-P-C4' energy: -76.735
flat angles P-C4'-P energy: -50.658
tors. eta vs tors. theta energy: -90.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -963.091578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.091578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.091578 (E_RNA)
where:
Base-Base interactions energy: -643.650
where: short stacking energy: -295.875
Base-Backbone interact. energy: -1.585
local terms energy: -317.856607
where:
bonds (distance) C4'-P energy: -75.568
bonds (distance) P-C4' energy: -49.570
flat angles C4'-P-C4' energy: -77.375
flat angles P-C4'-P energy: -36.387
tors. eta vs tors. theta energy: -78.957
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: 6, replica: 4
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -782.960130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.960130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.960130 (E_RNA)
where:
Base-Base interactions energy: -478.050
where: short stacking energy: -224.015
Base-Backbone interact. energy: -1.577
local terms energy: -303.333315
where:
bonds (distance) C4'-P energy: -72.166
bonds (distance) P-C4' energy: -63.617
flat angles C4'-P-C4' energy: -62.710
flat angles P-C4'-P energy: -46.340
tors. eta vs tors. theta energy: -58.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -657.333202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.333202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.333202 (E_RNA)
where:
Base-Base interactions energy: -404.078
where: short stacking energy: -180.882
Base-Backbone interact. energy: 0.571
local terms energy: -253.826580
where:
bonds (distance) C4'-P energy: -58.278
bonds (distance) P-C4' energy: -59.717
flat angles C4'-P-C4' energy: -60.873
flat angles P-C4'-P energy: -41.427
tors. eta vs tors. theta energy: -33.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -650.565270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.565270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.565270 (E_RNA)
where:
Base-Base interactions energy: -379.976
where: short stacking energy: -180.087
Base-Backbone interact. energy: 3.648
local terms energy: -274.237503
where:
bonds (distance) C4'-P energy: -71.991
bonds (distance) P-C4' energy: -64.847
flat angles C4'-P-C4' energy: -62.071
flat angles P-C4'-P energy: -40.954
tors. eta vs tors. theta energy: -34.375
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: 8
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -390.480337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.480337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.480337 (E_RNA)
where:
Base-Base interactions energy: -161.609
where: short stacking energy: -90.150
Base-Backbone interact. energy: -0.208
local terms energy: -228.662824
where:
bonds (distance) C4'-P energy: -60.794
bonds (distance) P-C4' energy: -70.972
flat angles C4'-P-C4' energy: -70.321
flat angles P-C4'-P energy: -33.712
tors. eta vs tors. theta energy: 7.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -308.254444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.254444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.254444 (E_RNA)
where:
Base-Base interactions energy: -124.425
where: short stacking energy: -72.894
Base-Backbone interact. energy: 1.110
local terms energy: -184.939486
where:
bonds (distance) C4'-P energy: -79.240
bonds (distance) P-C4' energy: -58.654
flat angles C4'-P-C4' energy: -40.860
flat angles P-C4'-P energy: -27.788
tors. eta vs tors. theta energy: 21.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1180.784507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.784507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.784507 (E_RNA)
where:
Base-Base interactions energy: -806.232
where: short stacking energy: -342.914
Base-Backbone interact. energy: 2.182
local terms energy: -376.735039
where:
bonds (distance) C4'-P energy: -67.853
bonds (distance) P-C4' energy: -81.386
flat angles C4'-P-C4' energy: -82.389
flat angles P-C4'-P energy: -52.707
tors. eta vs tors. theta energy: -92.401
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: 5
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1135.243022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.243022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.243022 (E_RNA)
where:
Base-Base interactions energy: -754.607
where: short stacking energy: -335.785
Base-Backbone interact. energy: -0.689
local terms energy: -379.946538
where:
bonds (distance) C4'-P energy: -69.630
bonds (distance) P-C4' energy: -68.851
flat angles C4'-P-C4' energy: -80.117
flat angles P-C4'-P energy: -55.515
tors. eta vs tors. theta energy: -105.834
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: 2
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1054.084409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.084409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.084409 (E_RNA)
where:
Base-Base interactions energy: -716.480
where: short stacking energy: -308.752
Base-Backbone interact. energy: -1.124
local terms energy: -336.480513
where:
bonds (distance) C4'-P energy: -60.500
bonds (distance) P-C4' energy: -71.454
flat angles C4'-P-C4' energy: -74.824
flat angles P-C4'-P energy: -43.503
tors. eta vs tors. theta energy: -86.199
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: 4, replica: 1
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1018.357523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.357523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.357523 (E_RNA)
where:
Base-Base interactions energy: -653.802
where: short stacking energy: -320.566
Base-Backbone interact. energy: -1.295
local terms energy: -363.260190
where:
bonds (distance) C4'-P energy: -65.449
bonds (distance) P-C4' energy: -74.595
flat angles C4'-P-C4' energy: -85.491
flat angles P-C4'-P energy: -44.603
tors. eta vs tors. theta energy: -93.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -989.880043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.880043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.880043 (E_RNA)
where:
Base-Base interactions energy: -651.751
where: short stacking energy: -294.116
Base-Backbone interact. energy: -0.078
local terms energy: -338.051920
where:
bonds (distance) C4'-P energy: -63.719
bonds (distance) P-C4' energy: -57.277
flat angles C4'-P-C4' energy: -75.800
flat angles P-C4'-P energy: -56.173
tors. eta vs tors. theta energy: -85.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -799.055301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.055301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.055301 (E_RNA)
where:
Base-Base interactions energy: -486.576
where: short stacking energy: -232.261
Base-Backbone interact. energy: 0.579
local terms energy: -313.059030
where:
bonds (distance) C4'-P energy: -55.451
bonds (distance) P-C4' energy: -74.475
flat angles C4'-P-C4' energy: -73.462
flat angles P-C4'-P energy: -50.911
tors. eta vs tors. theta energy: -58.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -622.547661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.547661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.547661 (E_RNA)
where:
Base-Base interactions energy: -358.032
where: short stacking energy: -156.357
Base-Backbone interact. energy: -0.916
local terms energy: -263.599208
where:
bonds (distance) C4'-P energy: -69.801
bonds (distance) P-C4' energy: -70.966
flat angles C4'-P-C4' energy: -67.700
flat angles P-C4'-P energy: -32.470
tors. eta vs tors. theta energy: -22.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -701.378504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.378504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.378504 (E_RNA)
where:
Base-Base interactions energy: -413.594
where: short stacking energy: -217.039
Base-Backbone interact. energy: -0.610
local terms energy: -287.174628
where:
bonds (distance) C4'-P energy: -68.693
bonds (distance) P-C4' energy: -62.191
flat angles C4'-P-C4' energy: -75.332
flat angles P-C4'-P energy: -33.661
tors. eta vs tors. theta energy: -47.297
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: 8
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -378.620662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.620662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.620662 (E_RNA)
where:
Base-Base interactions energy: -168.974
where: short stacking energy: -87.012
Base-Backbone interact. energy: 0.142
local terms energy: -209.788722
where:
bonds (distance) C4'-P energy: -62.880
bonds (distance) P-C4' energy: -67.222
flat angles C4'-P-C4' energy: -56.117
flat angles P-C4'-P energy: -28.661
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: 10, replica: 6
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -358.312431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.312431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.312431 (E_RNA)
where:
Base-Base interactions energy: -159.348
where: short stacking energy: -95.166
Base-Backbone interact. energy: -0.452
local terms energy: -198.512529
where:
bonds (distance) C4'-P energy: -57.632
bonds (distance) P-C4' energy: -51.416
flat angles C4'-P-C4' energy: -49.166
flat angles P-C4'-P energy: -37.149
tors. eta vs tors. theta energy: -3.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1206.030834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.030834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.030834 (E_RNA)
where:
Base-Base interactions energy: -827.555
where: short stacking energy: -330.506
Base-Backbone interact. energy: -1.934
local terms energy: -376.541440
where:
bonds (distance) C4'-P energy: -61.063
bonds (distance) P-C4' energy: -73.072
flat angles C4'-P-C4' energy: -77.803
flat angles P-C4'-P energy: -57.361
tors. eta vs tors. theta energy: -107.242
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: 5
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1160.844871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.844871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.844871 (E_RNA)
where:
Base-Base interactions energy: -784.305
where: short stacking energy: -328.555
Base-Backbone interact. energy: -1.624
local terms energy: -374.915964
where:
bonds (distance) C4'-P energy: -60.489
bonds (distance) P-C4' energy: -73.568
flat angles C4'-P-C4' energy: -83.388
flat angles P-C4'-P energy: -49.392
tors. eta vs tors. theta energy: -108.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1032.872852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.872852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.872852 (E_RNA)
where:
Base-Base interactions energy: -669.290
where: short stacking energy: -303.666
Base-Backbone interact. energy: -1.942
local terms energy: -361.640208
where:
bonds (distance) C4'-P energy: -73.452
bonds (distance) P-C4' energy: -70.892
flat angles C4'-P-C4' energy: -72.808
flat angles P-C4'-P energy: -57.014
tors. eta vs tors. theta energy: -87.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1031.778537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.778537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.778537 (E_RNA)
where:
Base-Base interactions energy: -688.635
where: short stacking energy: -294.198
Base-Backbone interact. energy: 0.806
local terms energy: -343.950453
where:
bonds (distance) C4'-P energy: -68.449
bonds (distance) P-C4' energy: -70.729
flat angles C4'-P-C4' energy: -81.802
flat angles P-C4'-P energy: -42.043
tors. eta vs tors. theta energy: -80.928
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: 3
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1004.343229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.343229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.343229 (E_RNA)
where:
Base-Base interactions energy: -636.377
where: short stacking energy: -282.767
Base-Backbone interact. energy: -1.861
local terms energy: -366.105596
where:
bonds (distance) C4'-P energy: -82.404
bonds (distance) P-C4' energy: -64.019
flat angles C4'-P-C4' energy: -78.732
flat angles P-C4'-P energy: -53.924
tors. eta vs tors. theta energy: -87.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -775.009865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.009865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.009865 (E_RNA)
where:
Base-Base interactions energy: -474.927
where: short stacking energy: -213.532
Base-Backbone interact. energy: -3.856
local terms energy: -296.226865
where:
bonds (distance) C4'-P energy: -73.049
bonds (distance) P-C4' energy: -63.537
flat angles C4'-P-C4' energy: -71.616
flat angles P-C4'-P energy: -41.806
tors. eta vs tors. theta energy: -46.219
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: 7, replica: 9
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -718.608322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.608322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.608322 (E_RNA)
where:
Base-Base interactions energy: -423.559
where: short stacking energy: -201.651
Base-Backbone interact. energy: 3.319
local terms energy: -298.368602
where:
bonds (distance) C4'-P energy: -60.436
bonds (distance) P-C4' energy: -71.049
flat angles C4'-P-C4' energy: -77.922
flat angles P-C4'-P energy: -44.065
tors. eta vs tors. theta energy: -44.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -583.489952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.489952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.489952 (E_RNA)
where:
Base-Base interactions energy: -343.709
where: short stacking energy: -155.185
Base-Backbone interact. energy: -0.224
local terms energy: -239.557045
where:
bonds (distance) C4'-P energy: -65.627
bonds (distance) P-C4' energy: -59.701
flat angles C4'-P-C4' energy: -63.953
flat angles P-C4'-P energy: -42.139
tors. eta vs tors. theta energy: -8.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -391.643522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.643522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.643522 (E_RNA)
where:
Base-Base interactions energy: -181.285
where: short stacking energy: -99.317
Base-Backbone interact. energy: 2.852
local terms energy: -213.210645
where:
bonds (distance) C4'-P energy: -54.693
bonds (distance) P-C4' energy: -58.653
flat angles C4'-P-C4' energy: -52.592
flat angles P-C4'-P energy: -37.344
tors. eta vs tors. theta energy: -9.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -303.090446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.090446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.090446 (E_RNA)
where:
Base-Base interactions energy: -94.818
where: short stacking energy: -93.362
Base-Backbone interact. energy: 4.046
local terms energy: -212.318750
where:
bonds (distance) C4'-P energy: -68.954
bonds (distance) P-C4' energy: -62.925
flat angles C4'-P-C4' energy: -55.935
flat angles P-C4'-P energy: -30.848
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: 1, replica: 7
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1193.109500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.109500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.109500 (E_RNA)
where:
Base-Base interactions energy: -810.007
where: short stacking energy: -342.723
Base-Backbone interact. energy: -1.755
local terms energy: -381.347359
where:
bonds (distance) C4'-P energy: -76.859
bonds (distance) P-C4' energy: -74.627
flat angles C4'-P-C4' energy: -79.133
flat angles P-C4'-P energy: -50.173
tors. eta vs tors. theta energy: -100.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1168.035229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.035229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.035229 (E_RNA)
where:
Base-Base interactions energy: -818.205
where: short stacking energy: -347.144
Base-Backbone interact. energy: 1.021
local terms energy: -350.850725
where:
bonds (distance) C4'-P energy: -61.269
bonds (distance) P-C4' energy: -69.330
flat angles C4'-P-C4' energy: -76.327
flat angles P-C4'-P energy: -48.586
tors. eta vs tors. theta energy: -95.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1104.342354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.342354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.342354 (E_RNA)
where:
Base-Base interactions energy: -743.203
where: short stacking energy: -347.522
Base-Backbone interact. energy: -0.053
local terms energy: -361.085782
where:
bonds (distance) C4'-P energy: -67.825
bonds (distance) P-C4' energy: -59.033
flat angles C4'-P-C4' energy: -78.349
flat angles P-C4'-P energy: -54.960
tors. eta vs tors. theta energy: -100.919
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: 2
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1024.100040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.100040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.100040 (E_RNA)
where:
Base-Base interactions energy: -681.029
where: short stacking energy: -283.744
Base-Backbone interact. energy: -1.459
local terms energy: -341.611774
where:
bonds (distance) C4'-P energy: -70.549
bonds (distance) P-C4' energy: -79.962
flat angles C4'-P-C4' energy: -81.784
flat angles P-C4'-P energy: -37.732
tors. eta vs tors. theta energy: -71.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -926.162207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.162207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.162207 (E_RNA)
where:
Base-Base interactions energy: -594.367
where: short stacking energy: -242.396
Base-Backbone interact. energy: 1.545
local terms energy: -333.339862
where:
bonds (distance) C4'-P energy: -78.128
bonds (distance) P-C4' energy: -71.580
flat angles C4'-P-C4' energy: -70.097
flat angles P-C4'-P energy: -43.931
tors. eta vs tors. theta energy: -69.604
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: 65
Temperature: 1.150000
Total energy: -810.140762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.140762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.140762 (E_RNA)
where:
Base-Base interactions energy: -506.031
where: short stacking energy: -226.686
Base-Backbone interact. energy: -1.772
local terms energy: -302.337544
where:
bonds (distance) C4'-P energy: -63.056
bonds (distance) P-C4' energy: -66.930
flat angles C4'-P-C4' energy: -65.854
flat angles P-C4'-P energy: -47.188
tors. eta vs tors. theta energy: -59.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -716.997310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.997310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.997310 (E_RNA)
where:
Base-Base interactions energy: -424.047
where: short stacking energy: -207.000
Base-Backbone interact. energy: -2.792
local terms energy: -290.158668
where:
bonds (distance) C4'-P energy: -72.827
bonds (distance) P-C4' energy: -64.815
flat angles C4'-P-C4' energy: -68.302
flat angles P-C4'-P energy: -40.119
tors. eta vs tors. theta energy: -44.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -559.879060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.879060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.879060 (E_RNA)
where:
Base-Base interactions energy: -337.805
where: short stacking energy: -152.163
Base-Backbone interact. energy: -0.087
local terms energy: -221.986573
where:
bonds (distance) C4'-P energy: -48.827
bonds (distance) P-C4' energy: -66.854
flat angles C4'-P-C4' energy: -56.046
flat angles P-C4'-P energy: -37.894
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: 9, replica: 8
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -442.595473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.595473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.595473 (E_RNA)
where:
Base-Base interactions energy: -239.001
where: short stacking energy: -117.394
Base-Backbone interact. energy: -1.295
local terms energy: -202.299672
where:
bonds (distance) C4'-P energy: -60.974
bonds (distance) P-C4' energy: -61.836
flat angles C4'-P-C4' energy: -59.445
flat angles P-C4'-P energy: -28.728
tors. eta vs tors. theta energy: 8.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -330.318627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.318627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.318627 (E_RNA)
where:
Base-Base interactions energy: -119.654
where: short stacking energy: -104.031
Base-Backbone interact. energy: 3.416
local terms energy: -214.080722
where:
bonds (distance) C4'-P energy: -61.280
bonds (distance) P-C4' energy: -54.227
flat angles C4'-P-C4' energy: -57.019
flat angles P-C4'-P energy: -36.492
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: 7
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1206.448592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.448592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.448592 (E_RNA)
where:
Base-Base interactions energy: -826.159
where: short stacking energy: -350.901
Base-Backbone interact. energy: 5.525
local terms energy: -385.814081
where:
bonds (distance) C4'-P energy: -66.859
bonds (distance) P-C4' energy: -79.058
flat angles C4'-P-C4' energy: -74.091
flat angles P-C4'-P energy: -60.262
tors. eta vs tors. theta energy: -105.545
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: 2, replica: 5
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1159.870644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.870644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.870644 (E_RNA)
where:
Base-Base interactions energy: -787.987
where: short stacking energy: -337.142
Base-Backbone interact. energy: -3.957
local terms energy: -367.926844
where:
bonds (distance) C4'-P energy: -65.897
bonds (distance) P-C4' energy: -65.554
flat angles C4'-P-C4' energy: -81.042
flat angles P-C4'-P energy: -53.112
tors. eta vs tors. theta energy: -102.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1098.575686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.575686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.575686 (E_RNA)
where:
Base-Base interactions energy: -728.345
where: short stacking energy: -317.927
Base-Backbone interact. energy: 0.292
local terms energy: -370.522465
where:
bonds (distance) C4'-P energy: -71.953
bonds (distance) P-C4' energy: -77.244
flat angles C4'-P-C4' energy: -75.142
flat angles P-C4'-P energy: -45.470
tors. eta vs tors. theta energy: -100.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1002.768435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.768435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.768435 (E_RNA)
where:
Base-Base interactions energy: -674.663
where: short stacking energy: -291.407
Base-Backbone interact. energy: -3.024
local terms energy: -325.081078
where:
bonds (distance) C4'-P energy: -62.786
bonds (distance) P-C4' energy: -63.032
flat angles C4'-P-C4' energy: -71.784
flat angles P-C4'-P energy: -54.434
tors. eta vs tors. theta energy: -73.045
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: 5, replica: 3
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -941.352106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.352106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.352106 (E_RNA)
where:
Base-Base interactions energy: -641.025
where: short stacking energy: -259.722
Base-Backbone interact. energy: -0.624
local terms energy: -299.703579
where:
bonds (distance) C4'-P energy: -69.448
bonds (distance) P-C4' energy: -60.615
flat angles C4'-P-C4' energy: -62.175
flat angles P-C4'-P energy: -41.599
tors. eta vs tors. theta energy: -65.866
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: 66
Temperature: 1.150000
Total energy: -769.934175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.934175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.934175 (E_RNA)
where:
Base-Base interactions energy: -487.529
where: short stacking energy: -212.171
Base-Backbone interact. energy: -1.448
local terms energy: -280.957038
where:
bonds (distance) C4'-P energy: -58.523
bonds (distance) P-C4' energy: -55.323
flat angles C4'-P-C4' energy: -71.730
flat angles P-C4'-P energy: -46.882
tors. eta vs tors. theta energy: -48.499
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: 7, replica: 9
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -636.205752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.205752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.205752 (E_RNA)
where:
Base-Base interactions energy: -362.275
where: short stacking energy: -179.063
Base-Backbone interact. energy: -0.599
local terms energy: -273.331665
where:
bonds (distance) C4'-P energy: -67.975
bonds (distance) P-C4' energy: -67.493
flat angles C4'-P-C4' energy: -61.651
flat angles P-C4'-P energy: -34.698
tors. eta vs tors. theta energy: -41.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -517.581967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.581967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.581967 (E_RNA)
where:
Base-Base interactions energy: -294.221
where: short stacking energy: -136.976
Base-Backbone interact. energy: -1.654
local terms energy: -221.706893
where:
bonds (distance) C4'-P energy: -52.789
bonds (distance) P-C4' energy: -54.816
flat angles C4'-P-C4' energy: -67.517
flat angles P-C4'-P energy: -31.303
tors. eta vs tors. theta energy: -15.282
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: 8
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -439.987976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.987976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.987976 (E_RNA)
where:
Base-Base interactions energy: -211.858
where: short stacking energy: -109.403
Base-Backbone interact. energy: -0.822
local terms energy: -227.308488
where:
bonds (distance) C4'-P energy: -68.434
bonds (distance) P-C4' energy: -76.813
flat angles C4'-P-C4' energy: -44.969
flat angles P-C4'-P energy: -33.338
tors. eta vs tors. theta energy: -3.755
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: 6
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -296.910619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.910619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.910619 (E_RNA)
where:
Base-Base interactions energy: -89.788
where: short stacking energy: -84.070
Base-Backbone interact. energy: -1.220
local terms energy: -205.903403
where:
bonds (distance) C4'-P energy: -54.280
bonds (distance) P-C4' energy: -63.587
flat angles C4'-P-C4' energy: -47.120
flat angles P-C4'-P energy: -34.276
tors. eta vs tors. theta energy: -6.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1179.205032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.205032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.205032 (E_RNA)
where:
Base-Base interactions energy: -817.525
where: short stacking energy: -341.763
Base-Backbone interact. energy: -1.423
local terms energy: -360.256957
where:
bonds (distance) C4'-P energy: -68.355
bonds (distance) P-C4' energy: -61.931
flat angles C4'-P-C4' energy: -92.702
flat angles P-C4'-P energy: -49.276
tors. eta vs tors. theta energy: -87.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1151.310121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.310121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.310121 (E_RNA)
where:
Base-Base interactions energy: -776.426
where: short stacking energy: -332.561
Base-Backbone interact. energy: -1.068
local terms energy: -373.816190
where:
bonds (distance) C4'-P energy: -74.854
bonds (distance) P-C4' energy: -77.577
flat angles C4'-P-C4' energy: -73.075
flat angles P-C4'-P energy: -50.297
tors. eta vs tors. theta energy: -98.014
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: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1083.599318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.599318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.599318 (E_RNA)
where:
Base-Base interactions energy: -711.937
where: short stacking energy: -328.028
Base-Backbone interact. energy: -0.704
local terms energy: -370.958587
where:
bonds (distance) C4'-P energy: -68.806
bonds (distance) P-C4' energy: -70.783
flat angles C4'-P-C4' energy: -73.439
flat angles P-C4'-P energy: -53.273
tors. eta vs tors. theta energy: -104.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -987.554029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.554029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.554029 (E_RNA)
where:
Base-Base interactions energy: -634.457
where: short stacking energy: -281.650
Base-Backbone interact. energy: -3.134
local terms energy: -349.962704
where:
bonds (distance) C4'-P energy: -75.130
bonds (distance) P-C4' energy: -74.549
flat angles C4'-P-C4' energy: -68.654
flat angles P-C4'-P energy: -48.503
tors. eta vs tors. theta energy: -83.127
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: 3
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1003.980853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.980853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.980853 (E_RNA)
where:
Base-Base interactions energy: -668.888
where: short stacking energy: -295.642
Base-Backbone interact. energy: -0.970
local terms energy: -334.123067
where:
bonds (distance) C4'-P energy: -52.688
bonds (distance) P-C4' energy: -71.795
flat angles C4'-P-C4' energy: -83.306
flat angles P-C4'-P energy: -41.213
tors. eta vs tors. theta energy: -85.120
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: 6, replica: 4
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -785.469809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.469809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.469809 (E_RNA)
where:
Base-Base interactions energy: -496.360
where: short stacking energy: -214.608
Base-Backbone interact. energy: 4.561
local terms energy: -293.670845
where:
bonds (distance) C4'-P energy: -62.760
bonds (distance) P-C4' energy: -75.425
flat angles C4'-P-C4' energy: -69.720
flat angles P-C4'-P energy: -44.373
tors. eta vs tors. theta energy: -41.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -643.311923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.311923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.311923 (E_RNA)
where:
Base-Base interactions energy: -367.194
where: short stacking energy: -186.739
Base-Backbone interact. energy: 0.337
local terms energy: -276.454949
where:
bonds (distance) C4'-P energy: -60.925
bonds (distance) P-C4' energy: -59.484
flat angles C4'-P-C4' energy: -68.170
flat angles P-C4'-P energy: -47.768
tors. eta vs tors. theta energy: -40.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -472.440646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.440646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.440646 (E_RNA)
where:
Base-Base interactions energy: -245.264
where: short stacking energy: -134.936
Base-Backbone interact. energy: -1.302
local terms energy: -225.874691
where:
bonds (distance) C4'-P energy: -50.717
bonds (distance) P-C4' energy: -67.698
flat angles C4'-P-C4' energy: -62.190
flat angles P-C4'-P energy: -35.999
tors. eta vs tors. theta energy: -9.272
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: 9, replica: 8
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -443.685485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.685485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.685485 (E_RNA)
where:
Base-Base interactions energy: -227.151
where: short stacking energy: -120.732
Base-Backbone interact. energy: -0.456
local terms energy: -216.078297
where:
bonds (distance) C4'-P energy: -60.333
bonds (distance) P-C4' energy: -63.752
flat angles C4'-P-C4' energy: -53.157
flat angles P-C4'-P energy: -33.936
tors. eta vs tors. theta energy: -4.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -316.812861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.812861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.812861 (E_RNA)
where:
Base-Base interactions energy: -131.014
where: short stacking energy: -81.301
Base-Backbone interact. energy: 1.734
local terms energy: -187.532926
where:
bonds (distance) C4'-P energy: -59.809
bonds (distance) P-C4' energy: -60.179
flat angles C4'-P-C4' energy: -54.741
flat angles P-C4'-P energy: -33.849
tors. eta vs tors. theta energy: 21.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1213.663053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.663053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.663053 (E_RNA)
where:
Base-Base interactions energy: -824.714
where: short stacking energy: -354.119
Base-Backbone interact. energy: -2.350
local terms energy: -386.598961
where:
bonds (distance) C4'-P energy: -66.378
bonds (distance) P-C4' energy: -68.864
flat angles C4'-P-C4' energy: -88.261
flat angles P-C4'-P energy: -55.703
tors. eta vs tors. theta energy: -107.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1151.660236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.660236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.660236 (E_RNA)
where:
Base-Base interactions energy: -765.383
where: short stacking energy: -335.161
Base-Backbone interact. energy: -0.194
local terms energy: -386.083546
where:
bonds (distance) C4'-P energy: -75.666
bonds (distance) P-C4' energy: -73.743
flat angles C4'-P-C4' energy: -80.946
flat angles P-C4'-P energy: -56.956
tors. eta vs tors. theta energy: -98.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1127.797915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.797915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.797915 (E_RNA)
where:
Base-Base interactions energy: -755.613
where: short stacking energy: -346.279
Base-Backbone interact. energy: 1.607
local terms energy: -373.791890
where:
bonds (distance) C4'-P energy: -80.501
bonds (distance) P-C4' energy: -71.759
flat angles C4'-P-C4' energy: -78.458
flat angles P-C4'-P energy: -43.302
tors. eta vs tors. theta energy: -99.772
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: 68
Temperature: 1.050000
Total energy: -980.563350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.563350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.563350 (E_RNA)
where:
Base-Base interactions energy: -653.631
where: short stacking energy: -282.593
Base-Backbone interact. energy: -1.742
local terms energy: -325.190556
where:
bonds (distance) C4'-P energy: -63.632
bonds (distance) P-C4' energy: -61.457
flat angles C4'-P-C4' energy: -78.047
flat angles P-C4'-P energy: -42.565
tors. eta vs tors. theta energy: -79.491
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: 3
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -975.674290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.674290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.674290 (E_RNA)
where:
Base-Base interactions energy: -635.226
where: short stacking energy: -290.955
Base-Backbone interact. energy: -1.643
local terms energy: -338.804807
where:
bonds (distance) C4'-P energy: -57.032
bonds (distance) P-C4' energy: -77.855
flat angles C4'-P-C4' energy: -71.504
flat angles P-C4'-P energy: -47.527
tors. eta vs tors. theta energy: -84.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -772.276460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.276460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.276460 (E_RNA)
where:
Base-Base interactions energy: -480.057
where: short stacking energy: -202.516
Base-Backbone interact. energy: 0.074
local terms energy: -292.294092
where:
bonds (distance) C4'-P energy: -66.153
bonds (distance) P-C4' energy: -69.855
flat angles C4'-P-C4' energy: -75.946
flat angles P-C4'-P energy: -44.210
tors. eta vs tors. theta energy: -36.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -624.745389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.745389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.745389 (E_RNA)
where:
Base-Base interactions energy: -353.263
where: short stacking energy: -182.566
Base-Backbone interact. energy: 1.646
local terms energy: -273.127941
where:
bonds (distance) C4'-P energy: -65.855
bonds (distance) P-C4' energy: -59.869
flat angles C4'-P-C4' energy: -62.806
flat angles P-C4'-P energy: -48.344
tors. eta vs tors. theta energy: -36.254
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: 10
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -473.542153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.542153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.542153 (E_RNA)
where:
Base-Base interactions energy: -268.566
where: short stacking energy: -133.527
Base-Backbone interact. energy: 2.536
local terms energy: -207.511989
where:
bonds (distance) C4'-P energy: -49.684
bonds (distance) P-C4' energy: -68.528
flat angles C4'-P-C4' energy: -56.432
flat angles P-C4'-P energy: -25.897
tors. eta vs tors. theta energy: -6.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -421.033344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.033344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.033344 (E_RNA)
where:
Base-Base interactions energy: -221.826
where: short stacking energy: -109.775
Base-Backbone interact. energy: -1.485
local terms energy: -197.722645
where:
bonds (distance) C4'-P energy: -61.226
bonds (distance) P-C4' energy: -62.480
flat angles C4'-P-C4' energy: -49.518
flat angles P-C4'-P energy: -30.548
tors. eta vs tors. theta energy: 6.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -290.684282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.684282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.684282 (E_RNA)
where:
Base-Base interactions energy: -111.330
where: short stacking energy: -75.695
Base-Backbone interact. energy: -1.051
local terms energy: -178.303310
where:
bonds (distance) C4'-P energy: -56.737
bonds (distance) P-C4' energy: -72.321
flat angles C4'-P-C4' energy: -26.023
flat angles P-C4'-P energy: -29.392
tors. eta vs tors. theta energy: 6.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1196.667554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.667554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.667554 (E_RNA)
where:
Base-Base interactions energy: -808.168
where: short stacking energy: -340.533
Base-Backbone interact. energy: -2.432
local terms energy: -386.067573
where:
bonds (distance) C4'-P energy: -71.238
bonds (distance) P-C4' energy: -86.289
flat angles C4'-P-C4' energy: -75.570
flat angles P-C4'-P energy: -50.617
tors. eta vs tors. theta energy: -102.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1154.224547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.224547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.224547 (E_RNA)
where:
Base-Base interactions energy: -786.231
where: short stacking energy: -333.690
Base-Backbone interact. energy: -1.662
local terms energy: -366.332416
where:
bonds (distance) C4'-P energy: -70.188
bonds (distance) P-C4' energy: -74.960
flat angles C4'-P-C4' energy: -78.707
flat angles P-C4'-P energy: -44.239
tors. eta vs tors. theta energy: -98.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1141.536055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.536055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.536055 (E_RNA)
where:
Base-Base interactions energy: -752.486
where: short stacking energy: -340.033
Base-Backbone interact. energy: 0.772
local terms energy: -389.822373
where:
bonds (distance) C4'-P energy: -75.900
bonds (distance) P-C4' energy: -65.808
flat angles C4'-P-C4' energy: -79.221
flat angles P-C4'-P energy: -53.990
tors. eta vs tors. theta energy: -114.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -986.902498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.902498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.902498 (E_RNA)
where:
Base-Base interactions energy: -657.773
where: short stacking energy: -280.819
Base-Backbone interact. energy: 0.992
local terms energy: -330.121538
where:
bonds (distance) C4'-P energy: -67.795
bonds (distance) P-C4' energy: -66.234
flat angles C4'-P-C4' energy: -79.629
flat angles P-C4'-P energy: -41.170
tors. eta vs tors. theta energy: -75.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -988.653681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.653681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.653681 (E_RNA)
where:
Base-Base interactions energy: -636.367
where: short stacking energy: -293.611
Base-Backbone interact. energy: 1.926
local terms energy: -354.212744
where:
bonds (distance) C4'-P energy: -70.458
bonds (distance) P-C4' energy: -68.837
flat angles C4'-P-C4' energy: -75.201
flat angles P-C4'-P energy: -55.942
tors. eta vs tors. theta energy: -83.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -787.485869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.485869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.485869 (E_RNA)
where:
Base-Base interactions energy: -495.307
where: short stacking energy: -213.592
Base-Backbone interact. energy: -0.052
local terms energy: -292.127302
where:
bonds (distance) C4'-P energy: -67.845
bonds (distance) P-C4' energy: -67.996
flat angles C4'-P-C4' energy: -64.452
flat angles P-C4'-P energy: -45.548
tors. eta vs tors. theta energy: -46.287
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: 9
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -617.453951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.453951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.453951 (E_RNA)
where:
Base-Base interactions energy: -348.920
where: short stacking energy: -179.965
Base-Backbone interact. energy: -1.779
local terms energy: -266.755298
where:
bonds (distance) C4'-P energy: -59.184
bonds (distance) P-C4' energy: -62.525
flat angles C4'-P-C4' energy: -69.210
flat angles P-C4'-P energy: -37.290
tors. eta vs tors. theta energy: -38.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -484.326481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.326481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.326481 (E_RNA)
where:
Base-Base interactions energy: -271.659
where: short stacking energy: -145.161
Base-Backbone interact. energy: 4.000
local terms energy: -216.667865
where:
bonds (distance) C4'-P energy: -51.552
bonds (distance) P-C4' energy: -61.404
flat angles C4'-P-C4' energy: -50.267
flat angles P-C4'-P energy: -36.154
tors. eta vs tors. theta energy: -17.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -367.022176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.022176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.022176 (E_RNA)
where:
Base-Base interactions energy: -179.612
where: short stacking energy: -94.891
Base-Backbone interact. energy: -1.701
local terms energy: -185.709661
where:
bonds (distance) C4'-P energy: -58.441
bonds (distance) P-C4' energy: -69.140
flat angles C4'-P-C4' energy: -55.757
flat angles P-C4'-P energy: -17.293
tors. eta vs tors. theta energy: 14.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -277.445590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.445590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.445590 (E_RNA)
where:
Base-Base interactions energy: -100.826
where: short stacking energy: -65.755
Base-Backbone interact. energy: -0.180
local terms energy: -176.439422
where:
bonds (distance) C4'-P energy: -55.760
bonds (distance) P-C4' energy: -55.155
flat angles C4'-P-C4' energy: -57.292
flat angles P-C4'-P energy: -18.532
tors. eta vs tors. theta energy: 10.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1201.511396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.511396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.511396 (E_RNA)
where:
Base-Base interactions energy: -830.108
where: short stacking energy: -343.960
Base-Backbone interact. energy: -1.970
local terms energy: -369.434030
where:
bonds (distance) C4'-P energy: -70.633
bonds (distance) P-C4' energy: -71.923
flat angles C4'-P-C4' energy: -73.547
flat angles P-C4'-P energy: -58.480
tors. eta vs tors. theta energy: -94.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1160.276256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.276256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.276256 (E_RNA)
where:
Base-Base interactions energy: -781.831
where: short stacking energy: -317.625
Base-Backbone interact. energy: -1.834
local terms energy: -376.611272
where:
bonds (distance) C4'-P energy: -69.677
bonds (distance) P-C4' energy: -78.259
flat angles C4'-P-C4' energy: -73.925
flat angles P-C4'-P energy: -54.125
tors. eta vs tors. theta energy: -100.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1134.030007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.030007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.030007 (E_RNA)
where:
Base-Base interactions energy: -772.587
where: short stacking energy: -329.957
Base-Backbone interact. energy: 0.169
local terms energy: -361.612107
where:
bonds (distance) C4'-P energy: -67.876
bonds (distance) P-C4' energy: -59.275
flat angles C4'-P-C4' energy: -78.550
flat angles P-C4'-P energy: -50.541
tors. eta vs tors. theta energy: -105.370
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: 2
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1005.489976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.489976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.489976 (E_RNA)
where:
Base-Base interactions energy: -664.392
where: short stacking energy: -285.597
Base-Backbone interact. energy: -2.903
local terms energy: -338.194276
where:
bonds (distance) C4'-P energy: -65.571
bonds (distance) P-C4' energy: -64.801
flat angles C4'-P-C4' energy: -74.328
flat angles P-C4'-P energy: -49.798
tors. eta vs tors. theta energy: -83.697
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: 3
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -961.451772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.451772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.451772 (E_RNA)
where:
Base-Base interactions energy: -639.792
where: short stacking energy: -287.605
Base-Backbone interact. energy: -1.271
local terms energy: -320.388513
where:
bonds (distance) C4'-P energy: -64.765
bonds (distance) P-C4' energy: -61.115
flat angles C4'-P-C4' energy: -67.941
flat angles P-C4'-P energy: -49.363
tors. eta vs tors. theta energy: -77.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -741.430362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.430362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.430362 (E_RNA)
where:
Base-Base interactions energy: -452.419
where: short stacking energy: -200.090
Base-Backbone interact. energy: -0.530
local terms energy: -288.481429
where:
bonds (distance) C4'-P energy: -61.907
bonds (distance) P-C4' energy: -66.127
flat angles C4'-P-C4' energy: -75.078
flat angles P-C4'-P energy: -41.632
tors. eta vs tors. theta energy: -43.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -578.344238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.344238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.344238 (E_RNA)
where:
Base-Base interactions energy: -340.689
where: short stacking energy: -175.025
Base-Backbone interact. energy: -2.770
local terms energy: -234.885808
where:
bonds (distance) C4'-P energy: -73.970
bonds (distance) P-C4' energy: -59.184
flat angles C4'-P-C4' energy: -44.254
flat angles P-C4'-P energy: -33.089
tors. eta vs tors. theta energy: -24.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -481.425173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.425173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.425173 (E_RNA)
where:
Base-Base interactions energy: -252.739
where: short stacking energy: -136.353
Base-Backbone interact. energy: -0.663
local terms energy: -228.023295
where:
bonds (distance) C4'-P energy: -70.280
bonds (distance) P-C4' energy: -60.504
flat angles C4'-P-C4' energy: -60.078
flat angles P-C4'-P energy: -22.069
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: 9, replica: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -390.569059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.569059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.569059 (E_RNA)
where:
Base-Base interactions energy: -181.969
where: short stacking energy: -103.562
Base-Backbone interact. energy: 3.003
local terms energy: -211.603572
where:
bonds (distance) C4'-P energy: -64.019
bonds (distance) P-C4' energy: -70.782
flat angles C4'-P-C4' energy: -48.097
flat angles P-C4'-P energy: -23.348
tors. eta vs tors. theta energy: -5.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -290.944507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.944507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.944507 (E_RNA)
where:
Base-Base interactions energy: -90.404
where: short stacking energy: -81.357
Base-Backbone interact. energy: -0.341
local terms energy: -200.199707
where:
bonds (distance) C4'-P energy: -63.588
bonds (distance) P-C4' energy: -60.963
flat angles C4'-P-C4' energy: -60.293
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: 1.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1210.350415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.350415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.350415 (E_RNA)
where:
Base-Base interactions energy: -829.814
where: short stacking energy: -350.183
Base-Backbone interact. energy: -1.364
local terms energy: -379.172019
where:
bonds (distance) C4'-P energy: -73.354
bonds (distance) P-C4' energy: -70.361
flat angles C4'-P-C4' energy: -81.250
flat angles P-C4'-P energy: -52.942
tors. eta vs tors. theta energy: -101.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1142.775625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.775625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.775625 (E_RNA)
where:
Base-Base interactions energy: -770.402
where: short stacking energy: -334.173
Base-Backbone interact. energy: -1.654
local terms energy: -370.719970
where:
bonds (distance) C4'-P energy: -64.610
bonds (distance) P-C4' energy: -75.657
flat angles C4'-P-C4' energy: -68.939
flat angles P-C4'-P energy: -59.508
tors. eta vs tors. theta energy: -102.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1120.552389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.552389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.552389 (E_RNA)
where:
Base-Base interactions energy: -755.018
where: short stacking energy: -315.197
Base-Backbone interact. energy: -2.464
local terms energy: -363.070591
where:
bonds (distance) C4'-P energy: -74.570
bonds (distance) P-C4' energy: -78.196
flat angles C4'-P-C4' energy: -71.040
flat angles P-C4'-P energy: -56.972
tors. eta vs tors. theta energy: -82.292
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: 4, replica: 2
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -995.355799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.355799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.355799 (E_RNA)
where:
Base-Base interactions energy: -659.386
where: short stacking energy: -297.506
Base-Backbone interact. energy: 0.596
local terms energy: -336.565160
where:
bonds (distance) C4'-P energy: -57.711
bonds (distance) P-C4' energy: -66.903
flat angles C4'-P-C4' energy: -85.761
flat angles P-C4'-P energy: -48.664
tors. eta vs tors. theta energy: -77.526
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: 3
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1022.872813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.872813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.872813 (E_RNA)
where:
Base-Base interactions energy: -664.439
where: short stacking energy: -310.262
Base-Backbone interact. energy: -2.811
local terms energy: -355.622280
where:
bonds (distance) C4'-P energy: -60.466
bonds (distance) P-C4' energy: -69.188
flat angles C4'-P-C4' energy: -81.978
flat angles P-C4'-P energy: -51.675
tors. eta vs tors. theta energy: -92.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -809.601907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.601907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.601907 (E_RNA)
where:
Base-Base interactions energy: -512.437
where: short stacking energy: -229.017
Base-Backbone interact. energy: -1.226
local terms energy: -295.938761
where:
bonds (distance) C4'-P energy: -64.819
bonds (distance) P-C4' energy: -62.573
flat angles C4'-P-C4' energy: -65.941
flat angles P-C4'-P energy: -44.251
tors. eta vs tors. theta energy: -58.355
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: 9
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -603.838506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.838506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.838506 (E_RNA)
where:
Base-Base interactions energy: -339.042
where: short stacking energy: -171.078
Base-Backbone interact. energy: -1.026
local terms energy: -263.770374
where:
bonds (distance) C4'-P energy: -55.628
bonds (distance) P-C4' energy: -69.303
flat angles C4'-P-C4' energy: -67.709
flat angles P-C4'-P energy: -39.756
tors. eta vs tors. theta energy: -31.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -394.675538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.675538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.675538 (E_RNA)
where:
Base-Base interactions energy: -191.486
where: short stacking energy: -130.267
Base-Backbone interact. energy: -0.875
local terms energy: -202.314273
where:
bonds (distance) C4'-P energy: -52.398
bonds (distance) P-C4' energy: -66.133
flat angles C4'-P-C4' energy: -49.722
flat angles P-C4'-P energy: -36.908
tors. eta vs tors. theta energy: 2.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -443.594024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.594024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.594024 (E_RNA)
where:
Base-Base interactions energy: -237.636
where: short stacking energy: -113.585
Base-Backbone interact. energy: 0.052
local terms energy: -206.010200
where:
bonds (distance) C4'-P energy: -51.213
bonds (distance) P-C4' energy: -57.394
flat angles C4'-P-C4' energy: -48.023
flat angles P-C4'-P energy: -42.122
tors. eta vs tors. theta energy: -7.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -334.558828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.558828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.558828 (E_RNA)
where:
Base-Base interactions energy: -121.852
where: short stacking energy: -96.088
Base-Backbone interact. energy: -2.906
local terms energy: -209.800915
where:
bonds (distance) C4'-P energy: -68.030
bonds (distance) P-C4' energy: -54.561
flat angles C4'-P-C4' energy: -64.553
flat angles P-C4'-P energy: -23.189
tors. eta vs tors. theta energy: 0.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1180.860101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.860101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.860101 (E_RNA)
where:
Base-Base interactions energy: -785.989
where: short stacking energy: -327.493
Base-Backbone interact. energy: 0.480
local terms energy: -395.351118
where:
bonds (distance) C4'-P energy: -74.246
bonds (distance) P-C4' energy: -79.596
flat angles C4'-P-C4' energy: -86.494
flat angles P-C4'-P energy: -55.229
tors. eta vs tors. theta energy: -99.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1167.107485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.107485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.107485 (E_RNA)
where:
Base-Base interactions energy: -787.885
where: short stacking energy: -330.659
Base-Backbone interact. energy: -0.111
local terms energy: -379.111022
where:
bonds (distance) C4'-P energy: -72.105
bonds (distance) P-C4' energy: -67.596
flat angles C4'-P-C4' energy: -81.754
flat angles P-C4'-P energy: -50.026
tors. eta vs tors. theta energy: -107.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1113.142906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.142906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.142906 (E_RNA)
where:
Base-Base interactions energy: -758.267
where: short stacking energy: -312.714
Base-Backbone interact. energy: 2.139
local terms energy: -357.014937
where:
bonds (distance) C4'-P energy: -75.154
bonds (distance) P-C4' energy: -64.289
flat angles C4'-P-C4' energy: -82.733
flat angles P-C4'-P energy: -45.938
tors. eta vs tors. theta energy: -88.902
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: 2
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1036.828674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.828674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.828674 (E_RNA)
where:
Base-Base interactions energy: -695.073
where: short stacking energy: -297.293
Base-Backbone interact. energy: -2.586
local terms energy: -339.169442
where:
bonds (distance) C4'-P energy: -61.461
bonds (distance) P-C4' energy: -72.755
flat angles C4'-P-C4' energy: -76.755
flat angles P-C4'-P energy: -54.697
tors. eta vs tors. theta energy: -73.501
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: 3
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -974.335003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.335003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.335003 (E_RNA)
where:
Base-Base interactions energy: -628.616
where: short stacking energy: -288.988
Base-Backbone interact. energy: -4.240
local terms energy: -341.479613
where:
bonds (distance) C4'-P energy: -58.812
bonds (distance) P-C4' energy: -60.123
flat angles C4'-P-C4' energy: -84.450
flat angles P-C4'-P energy: -49.285
tors. eta vs tors. theta energy: -88.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -822.518678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.518678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.518678 (E_RNA)
where:
Base-Base interactions energy: -522.570
where: short stacking energy: -218.010
Base-Backbone interact. energy: -2.161
local terms energy: -297.787569
where:
bonds (distance) C4'-P energy: -73.374
bonds (distance) P-C4' energy: -66.480
flat angles C4'-P-C4' energy: -62.995
flat angles P-C4'-P energy: -45.931
tors. eta vs tors. theta energy: -49.008
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: 9
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -583.270769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.270769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.270769 (E_RNA)
where:
Base-Base interactions energy: -321.592
where: short stacking energy: -167.610
Base-Backbone interact. energy: -1.788
local terms energy: -259.890658
where:
bonds (distance) C4'-P energy: -76.177
bonds (distance) P-C4' energy: -65.359
flat angles C4'-P-C4' energy: -54.592
flat angles P-C4'-P energy: -38.792
tors. eta vs tors. theta energy: -24.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -427.809914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.809914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.809914 (E_RNA)
where:
Base-Base interactions energy: -185.855
where: short stacking energy: -138.829
Base-Backbone interact. energy: 0.669
local terms energy: -242.624411
where:
bonds (distance) C4'-P energy: -59.134
bonds (distance) P-C4' energy: -67.117
flat angles C4'-P-C4' energy: -60.288
flat angles P-C4'-P energy: -41.541
tors. eta vs tors. theta energy: -14.544
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: 9, replica: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -324.105110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.105110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.105110 (E_RNA)
where:
Base-Base interactions energy: -121.979
where: short stacking energy: -90.111
Base-Backbone interact. energy: 4.750
local terms energy: -206.875849
where:
bonds (distance) C4'-P energy: -71.775
bonds (distance) P-C4' energy: -53.624
flat angles C4'-P-C4' energy: -54.553
flat angles P-C4'-P energy: -30.097
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: 10, replica: 10
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -434.995078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.995078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.995078 (E_RNA)
where:
Base-Base interactions energy: -241.392
where: short stacking energy: -134.575
Base-Backbone interact. energy: 1.241
local terms energy: -194.844438
where:
bonds (distance) C4'-P energy: -64.481
bonds (distance) P-C4' energy: -63.329
flat angles C4'-P-C4' energy: -40.351
flat angles P-C4'-P energy: -28.270
tors. eta vs tors. theta energy: 1.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1206.261574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.261574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.261574 (E_RNA)
where:
Base-Base interactions energy: -831.987
where: short stacking energy: -357.229
Base-Backbone interact. energy: -2.156
local terms energy: -372.118724
where:
bonds (distance) C4'-P energy: -73.846
bonds (distance) P-C4' energy: -70.197
flat angles C4'-P-C4' energy: -80.978
flat angles P-C4'-P energy: -45.521
tors. eta vs tors. theta energy: -101.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1169.870270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.870270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.870270 (E_RNA)
where:
Base-Base interactions energy: -780.054
where: short stacking energy: -324.310
Base-Backbone interact. energy: 0.010
local terms energy: -389.826341
where:
bonds (distance) C4'-P energy: -67.296
bonds (distance) P-C4' energy: -75.986
flat angles C4'-P-C4' energy: -83.325
flat angles P-C4'-P energy: -53.125
tors. eta vs tors. theta energy: -110.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1138.651380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.651380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.651380 (E_RNA)
where:
Base-Base interactions energy: -757.869
where: short stacking energy: -318.577
Base-Backbone interact. energy: -1.427
local terms energy: -379.355755
where:
bonds (distance) C4'-P energy: -76.078
bonds (distance) P-C4' energy: -76.618
flat angles C4'-P-C4' energy: -87.359
flat angles P-C4'-P energy: -44.169
tors. eta vs tors. theta energy: -95.132
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: 4, replica: 3
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1023.769105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.769105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.769105 (E_RNA)
where:
Base-Base interactions energy: -671.407
where: short stacking energy: -312.197
Base-Backbone interact. energy: -0.324
local terms energy: -352.038416
where:
bonds (distance) C4'-P energy: -64.223
bonds (distance) P-C4' energy: -69.865
flat angles C4'-P-C4' energy: -78.546
flat angles P-C4'-P energy: -55.560
tors. eta vs tors. theta energy: -83.843
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: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -939.225695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.225695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.225695 (E_RNA)
where:
Base-Base interactions energy: -600.949
where: short stacking energy: -280.833
Base-Backbone interact. energy: 1.122
local terms energy: -339.398818
where:
bonds (distance) C4'-P energy: -76.167
bonds (distance) P-C4' energy: -72.711
flat angles C4'-P-C4' energy: -69.675
flat angles P-C4'-P energy: -44.611
tors. eta vs tors. theta energy: -76.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -875.009061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.009061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.009061 (E_RNA)
where:
Base-Base interactions energy: -573.857
where: short stacking energy: -253.214
Base-Backbone interact. energy: -0.586
local terms energy: -300.566068
where:
bonds (distance) C4'-P energy: -68.003
bonds (distance) P-C4' energy: -66.412
flat angles C4'-P-C4' energy: -72.941
flat angles P-C4'-P energy: -30.335
tors. eta vs tors. theta energy: -62.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -526.513166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.513166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.513166 (E_RNA)
where:
Base-Base interactions energy: -291.377
where: short stacking energy: -145.204
Base-Backbone interact. energy: -2.522
local terms energy: -232.614276
where:
bonds (distance) C4'-P energy: -80.236
bonds (distance) P-C4' energy: -67.848
flat angles C4'-P-C4' energy: -38.526
flat angles P-C4'-P energy: -31.396
tors. eta vs tors. theta energy: -14.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -412.747237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.747237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.747237 (E_RNA)
where:
Base-Base interactions energy: -199.263
where: short stacking energy: -116.084
Base-Backbone interact. energy: -2.402
local terms energy: -211.082314
where:
bonds (distance) C4'-P energy: -65.493
bonds (distance) P-C4' energy: -71.552
flat angles C4'-P-C4' energy: -52.514
flat angles P-C4'-P energy: -26.794
tors. eta vs tors. theta energy: 5.270
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: 6
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -316.064438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.064438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.064438 (E_RNA)
where:
Base-Base interactions energy: -106.935
where: short stacking energy: -96.046
Base-Backbone interact. energy: 0.213
local terms energy: -209.341508
where:
bonds (distance) C4'-P energy: -59.466
bonds (distance) P-C4' energy: -58.382
flat angles C4'-P-C4' energy: -57.047
flat angles P-C4'-P energy: -33.085
tors. eta vs tors. theta energy: -1.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -446.319338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.319338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.319338 (E_RNA)
where:
Base-Base interactions energy: -236.140
where: short stacking energy: -115.624
Base-Backbone interact. energy: 1.306
local terms energy: -211.485827
where:
bonds (distance) C4'-P energy: -46.514
bonds (distance) P-C4' energy: -68.707
flat angles C4'-P-C4' energy: -50.732
flat angles P-C4'-P energy: -37.887
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: 1, replica: 7
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1209.461798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.461798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.461798 (E_RNA)
where:
Base-Base interactions energy: -820.730
where: short stacking energy: -344.924
Base-Backbone interact. energy: -1.239
local terms energy: -387.492888
where:
bonds (distance) C4'-P energy: -78.426
bonds (distance) P-C4' energy: -83.812
flat angles C4'-P-C4' energy: -84.385
flat angles P-C4'-P energy: -48.356
tors. eta vs tors. theta energy: -92.515
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: 1
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1169.475253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.475253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.475253 (E_RNA)
where:
Base-Base interactions energy: -787.128
where: short stacking energy: -368.722
Base-Backbone interact. energy: -1.396
local terms energy: -380.951376
where:
bonds (distance) C4'-P energy: -66.881
bonds (distance) P-C4' energy: -73.152
flat angles C4'-P-C4' energy: -75.420
flat angles P-C4'-P energy: -55.258
tors. eta vs tors. theta energy: -110.240
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: 5
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1070.035411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.035411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.035411 (E_RNA)
where:
Base-Base interactions energy: -732.359
where: short stacking energy: -298.108
Base-Backbone interact. energy: -1.755
local terms energy: -335.920726
where:
bonds (distance) C4'-P energy: -69.576
bonds (distance) P-C4' energy: -57.131
flat angles C4'-P-C4' energy: -82.082
flat angles P-C4'-P energy: -40.194
tors. eta vs tors. theta energy: -86.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -995.682305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.682305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.682305 (E_RNA)
where:
Base-Base interactions energy: -653.088
where: short stacking energy: -304.482
Base-Backbone interact. energy: 4.092
local terms energy: -346.685729
where:
bonds (distance) C4'-P energy: -44.899
bonds (distance) P-C4' energy: -71.118
flat angles C4'-P-C4' energy: -81.818
flat angles P-C4'-P energy: -59.411
tors. eta vs tors. theta energy: -89.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -865.956993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.956993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.956993 (E_RNA)
where:
Base-Base interactions energy: -543.247
where: short stacking energy: -253.608
Base-Backbone interact. energy: -1.101
local terms energy: -321.608972
where:
bonds (distance) C4'-P energy: -69.340
bonds (distance) P-C4' energy: -63.760
flat angles C4'-P-C4' energy: -71.055
flat angles P-C4'-P energy: -57.913
tors. eta vs tors. theta energy: -59.542
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: 2
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -878.922798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.922798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.922798 (E_RNA)
where:
Base-Base interactions energy: -592.852
where: short stacking energy: -265.944
Base-Backbone interact. energy: -3.879
local terms energy: -282.191742
where:
bonds (distance) C4'-P energy: -59.426
bonds (distance) P-C4' energy: -58.418
flat angles C4'-P-C4' energy: -68.230
flat angles P-C4'-P energy: -33.572
tors. eta vs tors. theta energy: -62.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -550.308033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.308033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.308033 (E_RNA)
where:
Base-Base interactions energy: -287.659
where: short stacking energy: -133.580
Base-Backbone interact. energy: -0.041
local terms energy: -262.608234
where:
bonds (distance) C4'-P energy: -57.645
bonds (distance) P-C4' energy: -75.251
flat angles C4'-P-C4' energy: -73.430
flat angles P-C4'-P energy: -39.156
tors. eta vs tors. theta energy: -17.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -445.571637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.571637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.571637 (E_RNA)
where:
Base-Base interactions energy: -220.514
where: short stacking energy: -114.703
Base-Backbone interact. energy: -0.531
local terms energy: -224.526136
where:
bonds (distance) C4'-P energy: -74.528
bonds (distance) P-C4' energy: -60.173
flat angles C4'-P-C4' energy: -47.382
flat angles P-C4'-P energy: -43.705
tors. eta vs tors. theta energy: 1.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -420.535340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.535340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.535340 (E_RNA)
where:
Base-Base interactions energy: -212.848
where: short stacking energy: -104.944
Base-Backbone interact. energy: 1.798
local terms energy: -209.484717
where:
bonds (distance) C4'-P energy: -62.823
bonds (distance) P-C4' energy: -68.067
flat angles C4'-P-C4' energy: -51.804
flat angles P-C4'-P energy: -32.545
tors. eta vs tors. theta energy: 5.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -311.026445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.026445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.026445 (E_RNA)
where:
Base-Base interactions energy: -126.072
where: short stacking energy: -92.936
Base-Backbone interact. energy: -0.967
local terms energy: -183.987461
where:
bonds (distance) C4'-P energy: -43.877
bonds (distance) P-C4' energy: -65.767
flat angles C4'-P-C4' energy: -55.817
flat angles P-C4'-P energy: -26.486
tors. eta vs tors. theta energy: 7.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1202.175412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.175412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.175412 (E_RNA)
where:
Base-Base interactions energy: -818.821
where: short stacking energy: -340.758
Base-Backbone interact. energy: -2.579
local terms energy: -380.774719
where:
bonds (distance) C4'-P energy: -78.444
bonds (distance) P-C4' energy: -71.709
flat angles C4'-P-C4' energy: -73.938
flat angles P-C4'-P energy: -57.249
tors. eta vs tors. theta energy: -99.436
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: 1
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1211.237578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.237578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.237578 (E_RNA)
where:
Base-Base interactions energy: -814.086
where: short stacking energy: -374.641
Base-Backbone interact. energy: -0.816
local terms energy: -396.336141
where:
bonds (distance) C4'-P energy: -65.887
bonds (distance) P-C4' energy: -84.689
flat angles C4'-P-C4' energy: -85.158
flat angles P-C4'-P energy: -46.239
tors. eta vs tors. theta energy: -114.363
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: 75
Temperature: 1.000000
Total energy: -1097.157172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.157172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.157172 (E_RNA)
where:
Base-Base interactions energy: -733.650
where: short stacking energy: -305.227
Base-Backbone interact. energy: -2.650
local terms energy: -360.857848
where:
bonds (distance) C4'-P energy: -69.000
bonds (distance) P-C4' energy: -77.181
flat angles C4'-P-C4' energy: -82.246
flat angles P-C4'-P energy: -38.510
tors. eta vs tors. theta energy: -93.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1022.822279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.822279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.822279 (E_RNA)
where:
Base-Base interactions energy: -654.466
where: short stacking energy: -304.287
Base-Backbone interact. energy: -0.658
local terms energy: -367.698142
where:
bonds (distance) C4'-P energy: -67.951
bonds (distance) P-C4' energy: -77.790
flat angles C4'-P-C4' energy: -74.500
flat angles P-C4'-P energy: -55.263
tors. eta vs tors. theta energy: -92.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -881.602668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.602668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.602668 (E_RNA)
where:
Base-Base interactions energy: -563.915
where: short stacking energy: -289.031
Base-Backbone interact. energy: -0.871
local terms energy: -316.817410
where:
bonds (distance) C4'-P energy: -70.954
bonds (distance) P-C4' energy: -62.081
flat angles C4'-P-C4' energy: -71.750
flat angles P-C4'-P energy: -44.184
tors. eta vs tors. theta energy: -67.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -870.107791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.107791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.107791 (E_RNA)
where:
Base-Base interactions energy: -575.398
where: short stacking energy: -261.840
Base-Backbone interact. energy: -1.631
local terms energy: -293.079111
where:
bonds (distance) C4'-P energy: -71.860
bonds (distance) P-C4' energy: -52.806
flat angles C4'-P-C4' energy: -65.498
flat angles P-C4'-P energy: -39.769
tors. eta vs tors. theta energy: -63.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -542.086213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.086213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.086213 (E_RNA)
where:
Base-Base interactions energy: -272.163
where: short stacking energy: -150.607
Base-Backbone interact. energy: -1.935
local terms energy: -267.987903
where:
bonds (distance) C4'-P energy: -62.611
bonds (distance) P-C4' energy: -70.250
flat angles C4'-P-C4' energy: -62.616
flat angles P-C4'-P energy: -46.985
tors. eta vs tors. theta energy: -25.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -487.852003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.852003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.852003 (E_RNA)
where:
Base-Base interactions energy: -272.908
where: short stacking energy: -153.548
Base-Backbone interact. energy: -1.271
local terms energy: -213.673572
where:
bonds (distance) C4'-P energy: -54.227
bonds (distance) P-C4' energy: -61.696
flat angles C4'-P-C4' energy: -54.040
flat angles P-C4'-P energy: -36.738
tors. eta vs tors. theta energy: -6.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -411.458497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.458497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.458497 (E_RNA)
where:
Base-Base interactions energy: -183.793
where: short stacking energy: -114.010
Base-Backbone interact. energy: -3.424
local terms energy: -224.241618
where:
bonds (distance) C4'-P energy: -62.588
bonds (distance) P-C4' energy: -73.344
flat angles C4'-P-C4' energy: -65.443
flat angles P-C4'-P energy: -21.855
tors. eta vs tors. theta energy: -1.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -295.104523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.104523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.104523 (E_RNA)
where:
Base-Base interactions energy: -106.719
where: short stacking energy: -88.578
Base-Backbone interact. energy: 1.846
local terms energy: -190.231008
where:
bonds (distance) C4'-P energy: -67.581
bonds (distance) P-C4' energy: -59.507
flat angles C4'-P-C4' energy: -46.291
flat angles P-C4'-P energy: -37.751
tors. eta vs tors. theta energy: 20.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1216.812420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.812420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.812420 (E_RNA)
where:
Base-Base interactions energy: -822.879
where: short stacking energy: -371.005
Base-Backbone interact. energy: 0.257
local terms energy: -394.190039
where:
bonds (distance) C4'-P energy: -69.482
bonds (distance) P-C4' energy: -70.231
flat angles C4'-P-C4' energy: -87.653
flat angles P-C4'-P energy: -54.439
tors. eta vs tors. theta energy: -112.385
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: 7
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1161.796711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.796711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.796711 (E_RNA)
where:
Base-Base interactions energy: -798.121
where: short stacking energy: -314.670
Base-Backbone interact. energy: -6.311
local terms energy: -357.364463
where:
bonds (distance) C4'-P energy: -68.338
bonds (distance) P-C4' energy: -65.459
flat angles C4'-P-C4' energy: -74.717
flat angles P-C4'-P energy: -55.333
tors. eta vs tors. theta energy: -93.517
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: 5
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1076.749598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.749598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.749598 (E_RNA)
where:
Base-Base interactions energy: -712.164
where: short stacking energy: -323.708
Base-Backbone interact. energy: 0.509
local terms energy: -365.093850
where:
bonds (distance) C4'-P energy: -74.399
bonds (distance) P-C4' energy: -70.520
flat angles C4'-P-C4' energy: -75.658
flat angles P-C4'-P energy: -49.144
tors. eta vs tors. theta energy: -95.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1010.894784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.894784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.894784 (E_RNA)
where:
Base-Base interactions energy: -677.088
where: short stacking energy: -294.183
Base-Backbone interact. energy: -2.397
local terms energy: -331.409963
where:
bonds (distance) C4'-P energy: -57.352
bonds (distance) P-C4' energy: -72.219
flat angles C4'-P-C4' energy: -77.826
flat angles P-C4'-P energy: -43.599
tors. eta vs tors. theta energy: -80.414
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: 4
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -893.518331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.518331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.518331 (E_RNA)
where:
Base-Base interactions energy: -576.791
where: short stacking energy: -258.533
Base-Backbone interact. energy: -0.307
local terms energy: -316.420175
where:
bonds (distance) C4'-P energy: -66.840
bonds (distance) P-C4' energy: -58.296
flat angles C4'-P-C4' energy: -75.380
flat angles P-C4'-P energy: -49.305
tors. eta vs tors. theta energy: -66.599
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: 2
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -844.711929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.711929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.711929 (E_RNA)
where:
Base-Base interactions energy: -545.785
where: short stacking energy: -242.052
Base-Backbone interact. energy: 0.140
local terms energy: -299.066867
where:
bonds (distance) C4'-P energy: -67.631
bonds (distance) P-C4' energy: -73.885
flat angles C4'-P-C4' energy: -58.462
flat angles P-C4'-P energy: -42.764
tors. eta vs tors. theta energy: -56.326
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: 7, replica: 9
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -521.011109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.011109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.011109 (E_RNA)
where:
Base-Base interactions energy: -259.148
where: short stacking energy: -147.366
Base-Backbone interact. energy: -0.327
local terms energy: -261.536665
where:
bonds (distance) C4'-P energy: -67.279
bonds (distance) P-C4' energy: -76.319
flat angles C4'-P-C4' energy: -55.655
flat angles P-C4'-P energy: -41.090
tors. eta vs tors. theta energy: -21.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -463.622814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.622814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.622814 (E_RNA)
where:
Base-Base interactions energy: -237.222
where: short stacking energy: -131.815
Base-Backbone interact. energy: 0.668
local terms energy: -227.069210
where:
bonds (distance) C4'-P energy: -55.622
bonds (distance) P-C4' energy: -65.602
flat angles C4'-P-C4' energy: -60.232
flat angles P-C4'-P energy: -46.012
tors. eta vs tors. theta energy: 0.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -467.012913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.012913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.012913 (E_RNA)
where:
Base-Base interactions energy: -263.527
where: short stacking energy: -124.614
Base-Backbone interact. energy: -1.132
local terms energy: -202.353657
where:
bonds (distance) C4'-P energy: -42.202
bonds (distance) P-C4' energy: -62.829
flat angles C4'-P-C4' energy: -57.726
flat angles P-C4'-P energy: -36.851
tors. eta vs tors. theta energy: -2.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -291.370182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.370182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.370182 (E_RNA)
where:
Base-Base interactions energy: -95.306
where: short stacking energy: -66.905
Base-Backbone interact. energy: 0.242
local terms energy: -196.306100
where:
bonds (distance) C4'-P energy: -64.027
bonds (distance) P-C4' energy: -55.279
flat angles C4'-P-C4' energy: -53.047
flat angles P-C4'-P energy: -30.720
tors. eta vs tors. theta energy: 6.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1242.241191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.241191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.241191 (E_RNA)
where:
Base-Base interactions energy: -841.664
where: short stacking energy: -391.554
Base-Backbone interact. energy: -0.826
local terms energy: -399.751688
where:
bonds (distance) C4'-P energy: -73.413
bonds (distance) P-C4' energy: -68.371
flat angles C4'-P-C4' energy: -85.378
flat angles P-C4'-P energy: -49.077
tors. eta vs tors. theta energy: -123.513
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: 2, replica: 7
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1179.932547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.932547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.932547 (E_RNA)
where:
Base-Base interactions energy: -803.934
where: short stacking energy: -324.889
Base-Backbone interact. energy: -2.324
local terms energy: -373.674132
where:
bonds (distance) C4'-P energy: -77.650
bonds (distance) P-C4' energy: -74.310
flat angles C4'-P-C4' energy: -74.039
flat angles P-C4'-P energy: -56.725
tors. eta vs tors. theta energy: -90.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1049.124006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.124006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.124006 (E_RNA)
where:
Base-Base interactions energy: -699.611
where: short stacking energy: -315.278
Base-Backbone interact. energy: -0.277
local terms energy: -349.236183
where:
bonds (distance) C4'-P energy: -65.186
bonds (distance) P-C4' energy: -68.842
flat angles C4'-P-C4' energy: -79.071
flat angles P-C4'-P energy: -48.601
tors. eta vs tors. theta energy: -87.536
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: 3
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1045.488392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.488392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.488392 (E_RNA)
where:
Base-Base interactions energy: -690.444
where: short stacking energy: -302.958
Base-Backbone interact. energy: -0.639
local terms energy: -354.405649
where:
bonds (distance) C4'-P energy: -65.411
bonds (distance) P-C4' energy: -67.967
flat angles C4'-P-C4' energy: -86.372
flat angles P-C4'-P energy: -46.018
tors. eta vs tors. theta energy: -88.639
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: 4
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -874.845422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.845422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.845422 (E_RNA)
where:
Base-Base interactions energy: -552.599
where: short stacking energy: -243.358
Base-Backbone interact. energy: -0.844
local terms energy: -321.402356
where:
bonds (distance) C4'-P energy: -66.219
bonds (distance) P-C4' energy: -76.326
flat angles C4'-P-C4' energy: -58.062
flat angles P-C4'-P energy: -60.725
tors. eta vs tors. theta energy: -60.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -859.986068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.986068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.986068 (E_RNA)
where:
Base-Base interactions energy: -589.797
where: short stacking energy: -233.861
Base-Backbone interact. energy: 1.173
local terms energy: -271.361788
where:
bonds (distance) C4'-P energy: -66.821
bonds (distance) P-C4' energy: -62.047
flat angles C4'-P-C4' energy: -52.662
flat angles P-C4'-P energy: -36.189
tors. eta vs tors. theta energy: -53.643
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: 7, replica: 9
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -548.546897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.546897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.546897 (E_RNA)
where:
Base-Base interactions energy: -291.684
where: short stacking energy: -170.095
Base-Backbone interact. energy: -0.304
local terms energy: -256.558474
where:
bonds (distance) C4'-P energy: -68.930
bonds (distance) P-C4' energy: -69.117
flat angles C4'-P-C4' energy: -61.353
flat angles P-C4'-P energy: -32.845
tors. eta vs tors. theta energy: -24.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -579.511165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.511165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.511165 (E_RNA)
where:
Base-Base interactions energy: -329.833
where: short stacking energy: -162.509
Base-Backbone interact. energy: 2.021
local terms energy: -251.698774
where:
bonds (distance) C4'-P energy: -73.858
bonds (distance) P-C4' energy: -63.647
flat angles C4'-P-C4' energy: -51.079
flat angles P-C4'-P energy: -41.798
tors. eta vs tors. theta energy: -21.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -412.318310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.318310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.318310 (E_RNA)
where:
Base-Base interactions energy: -201.674
where: short stacking energy: -117.557
Base-Backbone interact. energy: -0.553
local terms energy: -210.091248
where:
bonds (distance) C4'-P energy: -67.040
bonds (distance) P-C4' energy: -62.359
flat angles C4'-P-C4' energy: -45.522
flat angles P-C4'-P energy: -39.328
tors. eta vs tors. theta energy: 4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -291.185057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.185057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.185057 (E_RNA)
where:
Base-Base interactions energy: -121.139
where: short stacking energy: -85.571
Base-Backbone interact. energy: 1.746
local terms energy: -171.791997
where:
bonds (distance) C4'-P energy: -46.954
bonds (distance) P-C4' energy: -67.539
flat angles C4'-P-C4' energy: -40.634
flat angles P-C4'-P energy: -32.429
tors. eta vs tors. theta energy: 15.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1201.265541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.265541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.265541 (E_RNA)
where:
Base-Base interactions energy: -819.729
where: short stacking energy: -376.706
Base-Backbone interact. energy: -1.001
local terms energy: -380.535182
where:
bonds (distance) C4'-P energy: -69.612
bonds (distance) P-C4' energy: -81.381
flat angles C4'-P-C4' energy: -77.147
flat angles P-C4'-P energy: -48.401
tors. eta vs tors. theta energy: -103.994
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: 7
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1169.281929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.281929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.281929 (E_RNA)
where:
Base-Base interactions energy: -808.988
where: short stacking energy: -323.482
Base-Backbone interact. energy: -0.529
local terms energy: -359.764759
where:
bonds (distance) C4'-P energy: -64.659
bonds (distance) P-C4' energy: -65.873
flat angles C4'-P-C4' energy: -82.035
flat angles P-C4'-P energy: -51.721
tors. eta vs tors. theta energy: -95.478
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: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1089.978369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.978369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.978369 (E_RNA)
where:
Base-Base interactions energy: -724.041
where: short stacking energy: -310.741
Base-Backbone interact. energy: -1.825
local terms energy: -364.112228
where:
bonds (distance) C4'-P energy: -57.927
bonds (distance) P-C4' energy: -80.242
flat angles C4'-P-C4' energy: -81.855
flat angles P-C4'-P energy: -53.442
tors. eta vs tors. theta energy: -90.648
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: 5
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1031.883108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.883108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.883108 (E_RNA)
where:
Base-Base interactions energy: -688.197
where: short stacking energy: -304.395
Base-Backbone interact. energy: -1.097
local terms energy: -342.588803
where:
bonds (distance) C4'-P energy: -64.636
bonds (distance) P-C4' energy: -69.062
flat angles C4'-P-C4' energy: -70.246
flat angles P-C4'-P energy: -41.074
tors. eta vs tors. theta energy: -97.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -908.520848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.520848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.520848 (E_RNA)
where:
Base-Base interactions energy: -588.490
where: short stacking energy: -256.493
Base-Backbone interact. energy: -0.678
local terms energy: -319.352667
where:
bonds (distance) C4'-P energy: -58.908
bonds (distance) P-C4' energy: -67.777
flat angles C4'-P-C4' energy: -75.322
flat angles P-C4'-P energy: -41.110
tors. eta vs tors. theta energy: -76.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -823.970682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.970682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.970682 (E_RNA)
where:
Base-Base interactions energy: -526.867
where: short stacking energy: -225.255
Base-Backbone interact. energy: -0.824
local terms energy: -296.279544
where:
bonds (distance) C4'-P energy: -60.666
bonds (distance) P-C4' energy: -65.660
flat angles C4'-P-C4' energy: -64.324
flat angles P-C4'-P energy: -48.234
tors. eta vs tors. theta energy: -57.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -613.480257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.480257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.480257 (E_RNA)
where:
Base-Base interactions energy: -356.198
where: short stacking energy: -168.178
Base-Backbone interact. energy: 1.860
local terms energy: -259.142488
where:
bonds (distance) C4'-P energy: -63.975
bonds (distance) P-C4' energy: -74.704
flat angles C4'-P-C4' energy: -56.952
flat angles P-C4'-P energy: -31.639
tors. eta vs tors. theta energy: -31.873
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: 8, replica: 9
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -510.656901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.656901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.656901 (E_RNA)
where:
Base-Base interactions energy: -266.742
where: short stacking energy: -132.933
Base-Backbone interact. energy: -0.724
local terms energy: -243.190133
where:
bonds (distance) C4'-P energy: -57.876
bonds (distance) P-C4' energy: -74.680
flat angles C4'-P-C4' energy: -56.848
flat angles P-C4'-P energy: -32.772
tors. eta vs tors. theta energy: -21.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -437.884561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.884561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.884561 (E_RNA)
where:
Base-Base interactions energy: -222.539
where: short stacking energy: -113.573
Base-Backbone interact. energy: -3.282
local terms energy: -212.063608
where:
bonds (distance) C4'-P energy: -60.129
bonds (distance) P-C4' energy: -72.686
flat angles C4'-P-C4' energy: -53.157
flat angles P-C4'-P energy: -34.582
tors. eta vs tors. theta energy: 8.490
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: 6
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -318.993264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.993264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.993264 (E_RNA)
where:
Base-Base interactions energy: -93.797
where: short stacking energy: -81.534
Base-Backbone interact. energy: -0.911
local terms energy: -224.285458
where:
bonds (distance) C4'-P energy: -66.953
bonds (distance) P-C4' energy: -66.247
flat angles C4'-P-C4' energy: -55.930
flat angles P-C4'-P energy: -37.180
tors. eta vs tors. theta energy: 2.025
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: 1
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1189.734870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.734870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.734870 (E_RNA)
where:
Base-Base interactions energy: -792.745
where: short stacking energy: -367.901
Base-Backbone interact. energy: -1.657
local terms energy: -395.333068
where:
bonds (distance) C4'-P energy: -69.422
bonds (distance) P-C4' energy: -77.961
flat angles C4'-P-C4' energy: -86.769
flat angles P-C4'-P energy: -46.917
tors. eta vs tors. theta energy: -114.263
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: 7
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1157.209137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.209137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.209137 (E_RNA)
where:
Base-Base interactions energy: -794.334
where: short stacking energy: -330.909
Base-Backbone interact. energy: -0.315
local terms energy: -362.560113
where:
bonds (distance) C4'-P energy: -65.854
bonds (distance) P-C4' energy: -74.311
flat angles C4'-P-C4' energy: -82.396
flat angles P-C4'-P energy: -47.635
tors. eta vs tors. theta energy: -92.365
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: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1059.308120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.308120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.308120 (E_RNA)
where:
Base-Base interactions energy: -707.649
where: short stacking energy: -306.011
Base-Backbone interact. energy: -0.951
local terms energy: -350.707884
where:
bonds (distance) C4'-P energy: -63.964
bonds (distance) P-C4' energy: -77.111
flat angles C4'-P-C4' energy: -68.421
flat angles P-C4'-P energy: -43.824
tors. eta vs tors. theta energy: -97.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1049.552065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.552065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.552065 (E_RNA)
where:
Base-Base interactions energy: -699.782
where: short stacking energy: -309.237
Base-Backbone interact. energy: -2.119
local terms energy: -347.651208
where:
bonds (distance) C4'-P energy: -57.717
bonds (distance) P-C4' energy: -61.371
flat angles C4'-P-C4' energy: -78.704
flat angles P-C4'-P energy: -47.918
tors. eta vs tors. theta energy: -101.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -875.619356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.619356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.619356 (E_RNA)
where:
Base-Base interactions energy: -566.481
where: short stacking energy: -261.918
Base-Backbone interact. energy: -1.350
local terms energy: -307.788023
where:
bonds (distance) C4'-P energy: -67.326
bonds (distance) P-C4' energy: -70.883
flat angles C4'-P-C4' energy: -66.621
flat angles P-C4'-P energy: -37.951
tors. eta vs tors. theta energy: -65.007
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: 2
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -833.562392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.562392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.562392 (E_RNA)
where:
Base-Base interactions energy: -541.278
where: short stacking energy: -224.225
Base-Backbone interact. energy: -3.109
local terms energy: -289.175388
where:
bonds (distance) C4'-P energy: -59.353
bonds (distance) P-C4' energy: -68.126
flat angles C4'-P-C4' energy: -66.423
flat angles P-C4'-P energy: -41.531
tors. eta vs tors. theta energy: -53.743
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: 79
Temperature: 1.200000
Total energy: -601.364799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.364799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.364799 (E_RNA)
where:
Base-Base interactions energy: -353.755
where: short stacking energy: -165.989
Base-Backbone interact. energy: -1.605
local terms energy: -246.005431
where:
bonds (distance) C4'-P energy: -57.227
bonds (distance) P-C4' energy: -54.129
flat angles C4'-P-C4' energy: -69.041
flat angles P-C4'-P energy: -36.171
tors. eta vs tors. theta energy: -29.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -505.887681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.887681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.887681 (E_RNA)
where:
Base-Base interactions energy: -271.600
where: short stacking energy: -152.600
Base-Backbone interact. energy: 2.492
local terms energy: -236.780019
where:
bonds (distance) C4'-P energy: -49.258
bonds (distance) P-C4' energy: -68.328
flat angles C4'-P-C4' energy: -60.741
flat angles P-C4'-P energy: -36.443
tors. eta vs tors. theta energy: -22.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -444.638733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.638733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.638733 (E_RNA)
where:
Base-Base interactions energy: -232.779
where: short stacking energy: -120.587
Base-Backbone interact. energy: -1.134
local terms energy: -210.725531
where:
bonds (distance) C4'-P energy: -54.552
bonds (distance) P-C4' energy: -56.440
flat angles C4'-P-C4' energy: -54.588
flat angles P-C4'-P energy: -37.513
tors. eta vs tors. theta energy: -7.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -287.686492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.686492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.686492 (E_RNA)
where:
Base-Base interactions energy: -115.886
where: short stacking energy: -95.156
Base-Backbone interact. energy: -1.967
local terms energy: -169.833554
where:
bonds (distance) C4'-P energy: -42.350
bonds (distance) P-C4' energy: -70.268
flat angles C4'-P-C4' energy: -41.605
flat angles P-C4'-P energy: -30.674
tors. eta vs tors. theta energy: 15.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1191.142043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.142043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.142043 (E_RNA)
where:
Base-Base interactions energy: -806.460
where: short stacking energy: -327.962
Base-Backbone interact. energy: -2.601
local terms energy: -382.081084
where:
bonds (distance) C4'-P energy: -68.468
bonds (distance) P-C4' energy: -78.347
flat angles C4'-P-C4' energy: -85.536
flat angles P-C4'-P energy: -55.497
tors. eta vs tors. theta energy: -94.233
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: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1174.946635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.946635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.946635 (E_RNA)
where:
Base-Base interactions energy: -780.764
where: short stacking energy: -352.332
Base-Backbone interact. energy: -1.154
local terms energy: -393.029028
where:
bonds (distance) C4'-P energy: -73.582
bonds (distance) P-C4' energy: -75.428
flat angles C4'-P-C4' energy: -80.005
flat angles P-C4'-P energy: -54.455
tors. eta vs tors. theta energy: -109.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1088.164187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.164187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.164187 (E_RNA)
where:
Base-Base interactions energy: -723.604
where: short stacking energy: -325.561
Base-Backbone interact. energy: -0.283
local terms energy: -364.277071
where:
bonds (distance) C4'-P energy: -72.263
bonds (distance) P-C4' energy: -62.664
flat angles C4'-P-C4' energy: -78.204
flat angles P-C4'-P energy: -53.360
tors. eta vs tors. theta energy: -97.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1057.982314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.982314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.982314 (E_RNA)
where:
Base-Base interactions energy: -714.937
where: short stacking energy: -302.396
Base-Backbone interact. energy: -1.201
local terms energy: -341.844152
where:
bonds (distance) C4'-P energy: -64.448
bonds (distance) P-C4' energy: -68.494
flat angles C4'-P-C4' energy: -82.733
flat angles P-C4'-P energy: -38.825
tors. eta vs tors. theta energy: -87.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -837.689979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.689979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.689979 (E_RNA)
where:
Base-Base interactions energy: -521.178
where: short stacking energy: -240.802
Base-Backbone interact. energy: -1.306
local terms energy: -315.206074
where:
bonds (distance) C4'-P energy: -72.826
bonds (distance) P-C4' energy: -67.448
flat angles C4'-P-C4' energy: -73.713
flat angles P-C4'-P energy: -44.159
tors. eta vs tors. theta energy: -57.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -830.874719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.874719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.874719 (E_RNA)
where:
Base-Base interactions energy: -548.686
where: short stacking energy: -223.857
Base-Backbone interact. energy: 0.187
local terms energy: -282.375335
where:
bonds (distance) C4'-P energy: -69.238
bonds (distance) P-C4' energy: -72.818
flat angles C4'-P-C4' energy: -58.956
flat angles P-C4'-P energy: -31.519
tors. eta vs tors. theta energy: -49.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -612.795747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.795747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.795747 (E_RNA)
where:
Base-Base interactions energy: -347.570
where: short stacking energy: -166.406
Base-Backbone interact. energy: -2.524
local terms energy: -262.702201
where:
bonds (distance) C4'-P energy: -55.475
bonds (distance) P-C4' energy: -73.717
flat angles C4'-P-C4' energy: -77.369
flat angles P-C4'-P energy: -35.106
tors. eta vs tors. theta energy: -21.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -506.858724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.858724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.858724 (E_RNA)
where:
Base-Base interactions energy: -291.389
where: short stacking energy: -129.381
Base-Backbone interact. energy: -0.811
local terms energy: -214.659614
where:
bonds (distance) C4'-P energy: -68.455
bonds (distance) P-C4' energy: -54.445
flat angles C4'-P-C4' energy: -52.688
flat angles P-C4'-P energy: -32.580
tors. eta vs tors. theta energy: -6.491
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: 9, replica: 10
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -388.584526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.584526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.584526 (E_RNA)
where:
Base-Base interactions energy: -194.901
where: short stacking energy: -100.330
Base-Backbone interact. energy: -1.969
local terms energy: -191.714614
where:
bonds (distance) C4'-P energy: -45.591
bonds (distance) P-C4' energy: -68.055
flat angles C4'-P-C4' energy: -49.453
flat angles P-C4'-P energy: -34.024
tors. eta vs tors. theta energy: 5.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -290.232378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.232378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.232378 (E_RNA)
where:
Base-Base interactions energy: -101.671
where: short stacking energy: -86.254
Base-Backbone interact. energy: -0.666
local terms energy: -187.895150
where:
bonds (distance) C4'-P energy: -40.964
bonds (distance) P-C4' energy: -67.241
flat angles C4'-P-C4' energy: -55.295
flat angles P-C4'-P energy: -29.869
tors. eta vs tors. theta energy: 5.473
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: 1, replica: 7
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1181.710541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.710541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.710541 (E_RNA)
where:
Base-Base interactions energy: -805.067
where: short stacking energy: -316.517
Base-Backbone interact. energy: -0.142
local terms energy: -376.500998
where:
bonds (distance) C4'-P energy: -79.826
bonds (distance) P-C4' energy: -72.222
flat angles C4'-P-C4' energy: -76.039
flat angles P-C4'-P energy: -56.938
tors. eta vs tors. theta energy: -91.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1163.300976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.300976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.300976 (E_RNA)
where:
Base-Base interactions energy: -795.710
where: short stacking energy: -363.886
Base-Backbone interact. energy: -1.082
local terms energy: -366.508228
where:
bonds (distance) C4'-P energy: -60.057
bonds (distance) P-C4' energy: -74.900
flat angles C4'-P-C4' energy: -82.046
flat angles P-C4'-P energy: -43.671
tors. eta vs tors. theta energy: -105.834
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: 3
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1077.989756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.989756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.989756 (E_RNA)
where:
Base-Base interactions energy: -718.090
where: short stacking energy: -321.826
Base-Backbone interact. energy: -0.286
local terms energy: -359.613275
where:
bonds (distance) C4'-P energy: -72.251
bonds (distance) P-C4' energy: -75.943
flat angles C4'-P-C4' energy: -67.028
flat angles P-C4'-P energy: -50.966
tors. eta vs tors. theta energy: -93.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1034.966336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.966336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.966336 (E_RNA)
where:
Base-Base interactions energy: -698.772
where: short stacking energy: -297.085
Base-Backbone interact. energy: 3.233
local terms energy: -339.426982
where:
bonds (distance) C4'-P energy: -68.617
bonds (distance) P-C4' energy: -68.311
flat angles C4'-P-C4' energy: -77.730
flat angles P-C4'-P energy: -44.206
tors. eta vs tors. theta energy: -80.562
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: 5, replica: 4
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -868.828126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.828126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.828126 (E_RNA)
where:
Base-Base interactions energy: -562.174
where: short stacking energy: -265.560
Base-Backbone interact. energy: -0.062
local terms energy: -306.591759
where:
bonds (distance) C4'-P energy: -60.057
bonds (distance) P-C4' energy: -64.774
flat angles C4'-P-C4' energy: -67.537
flat angles P-C4'-P energy: -46.011
tors. eta vs tors. theta energy: -68.214
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: 2
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -868.469225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.469225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.469225 (E_RNA)
where:
Base-Base interactions energy: -575.673
where: short stacking energy: -252.926
Base-Backbone interact. energy: 0.462
local terms energy: -293.257878
where:
bonds (distance) C4'-P energy: -50.357
bonds (distance) P-C4' energy: -66.483
flat angles C4'-P-C4' energy: -65.109
flat angles P-C4'-P energy: -45.969
tors. eta vs tors. theta energy: -65.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -628.284917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.284917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.284917 (E_RNA)
where:
Base-Base interactions energy: -370.927
where: short stacking energy: -187.453
Base-Backbone interact. energy: -0.203
local terms energy: -257.154728
where:
bonds (distance) C4'-P energy: -65.550
bonds (distance) P-C4' energy: -65.520
flat angles C4'-P-C4' energy: -58.109
flat angles P-C4'-P energy: -33.478
tors. eta vs tors. theta energy: -34.497
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: 9
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -515.802815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.802815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.802815 (E_RNA)
where:
Base-Base interactions energy: -271.296
where: short stacking energy: -161.977
Base-Backbone interact. energy: 4.201
local terms energy: -248.708209
where:
bonds (distance) C4'-P energy: -62.023
bonds (distance) P-C4' energy: -61.251
flat angles C4'-P-C4' energy: -55.969
flat angles P-C4'-P energy: -46.000
tors. eta vs tors. theta energy: -23.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -459.469730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.469730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.469730 (E_RNA)
where:
Base-Base interactions energy: -216.210
where: short stacking energy: -121.332
Base-Backbone interact. energy: -0.643
local terms energy: -242.615943
where:
bonds (distance) C4'-P energy: -61.591
bonds (distance) P-C4' energy: -65.972
flat angles C4'-P-C4' energy: -67.308
flat angles P-C4'-P energy: -31.227
tors. eta vs tors. theta energy: -16.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -299.350079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.350079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.350079 (E_RNA)
where:
Base-Base interactions energy: -101.060
where: short stacking energy: -65.848
Base-Backbone interact. energy: 1.164
local terms energy: -199.453995
where:
bonds (distance) C4'-P energy: -69.866
bonds (distance) P-C4' energy: -61.730
flat angles C4'-P-C4' energy: -57.225
flat angles P-C4'-P energy: -23.607
tors. eta vs tors. theta energy: 12.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1186.300829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.300829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.300829 (E_RNA)
where:
Base-Base interactions energy: -809.139
where: short stacking energy: -335.435
Base-Backbone interact. energy: -0.284
local terms energy: -376.878240
where:
bonds (distance) C4'-P energy: -68.509
bonds (distance) P-C4' energy: -70.268
flat angles C4'-P-C4' energy: -83.065
flat angles P-C4'-P energy: -54.439
tors. eta vs tors. theta energy: -100.598
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: 2, replica: 1
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1174.091396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.091396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.091396 (E_RNA)
where:
Base-Base interactions energy: -791.362
where: short stacking energy: -352.538
Base-Backbone interact. energy: -3.179
local terms energy: -379.550507
where:
bonds (distance) C4'-P energy: -65.523
bonds (distance) P-C4' energy: -68.523
flat angles C4'-P-C4' energy: -84.679
flat angles P-C4'-P energy: -53.619
tors. eta vs tors. theta energy: -107.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1077.894305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.894305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.894305 (E_RNA)
where:
Base-Base interactions energy: -720.793
where: short stacking energy: -316.849
Base-Backbone interact. energy: 1.273
local terms energy: -358.374325
where:
bonds (distance) C4'-P energy: -71.311
bonds (distance) P-C4' energy: -63.462
flat angles C4'-P-C4' energy: -75.293
flat angles P-C4'-P energy: -54.876
tors. eta vs tors. theta energy: -93.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1018.894005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.894005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.894005 (E_RNA)
where:
Base-Base interactions energy: -666.147
where: short stacking energy: -285.042
Base-Backbone interact. energy: -0.498
local terms energy: -352.249665
where:
bonds (distance) C4'-P energy: -71.717
bonds (distance) P-C4' energy: -61.180
flat angles C4'-P-C4' energy: -82.956
flat angles P-C4'-P energy: -53.231
tors. eta vs tors. theta energy: -83.165
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: 4
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -885.625551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.625551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.625551 (E_RNA)
where:
Base-Base interactions energy: -572.301
where: short stacking energy: -267.163
Base-Backbone interact. energy: -1.053
local terms energy: -312.271836
where:
bonds (distance) C4'-P energy: -62.440
bonds (distance) P-C4' energy: -68.000
flat angles C4'-P-C4' energy: -74.726
flat angles P-C4'-P energy: -40.605
tors. eta vs tors. theta energy: -66.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -891.290437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.290437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.290437 (E_RNA)
where:
Base-Base interactions energy: -600.167
where: short stacking energy: -253.968
Base-Backbone interact. energy: -2.186
local terms energy: -288.937154
where:
bonds (distance) C4'-P energy: -66.369
bonds (distance) P-C4' energy: -63.526
flat angles C4'-P-C4' energy: -55.758
flat angles P-C4'-P energy: -48.927
tors. eta vs tors. theta energy: -54.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -640.865634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.865634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.865634 (E_RNA)
where:
Base-Base interactions energy: -359.457
where: short stacking energy: -181.558
Base-Backbone interact. energy: -0.789
local terms energy: -280.619317
where:
bonds (distance) C4'-P energy: -66.361
bonds (distance) P-C4' energy: -69.164
flat angles C4'-P-C4' energy: -65.530
flat angles P-C4'-P energy: -42.894
tors. eta vs tors. theta energy: -36.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -545.976690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.976690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.976690 (E_RNA)
where:
Base-Base interactions energy: -325.629
where: short stacking energy: -157.016
Base-Backbone interact. energy: -2.647
local terms energy: -217.700637
where:
bonds (distance) C4'-P energy: -66.575
bonds (distance) P-C4' energy: -55.388
flat angles C4'-P-C4' energy: -53.725
flat angles P-C4'-P energy: -25.471
tors. eta vs tors. theta energy: -16.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -415.401912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.401912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.401912 (E_RNA)
where:
Base-Base interactions energy: -212.091
where: short stacking energy: -110.422
Base-Backbone interact. energy: 2.890
local terms energy: -206.201020
where:
bonds (distance) C4'-P energy: -67.865
bonds (distance) P-C4' energy: -58.891
flat angles C4'-P-C4' energy: -47.924
flat angles P-C4'-P energy: -25.969
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: 10, replica: 6
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -348.742352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.742352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.742352 (E_RNA)
where:
Base-Base interactions energy: -165.055
where: short stacking energy: -88.871
Base-Backbone interact. energy: -0.388
local terms energy: -183.298835
where:
bonds (distance) C4'-P energy: -42.062
bonds (distance) P-C4' energy: -57.487
flat angles C4'-P-C4' energy: -57.068
flat angles P-C4'-P energy: -32.507
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: 1, replica: 7
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1176.260622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.260622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.260622 (E_RNA)
where:
Base-Base interactions energy: -808.892
where: short stacking energy: -329.281
Base-Backbone interact. energy: 0.203
local terms energy: -367.571491
where:
bonds (distance) C4'-P energy: -67.840
bonds (distance) P-C4' energy: -74.482
flat angles C4'-P-C4' energy: -77.477
flat angles P-C4'-P energy: -57.089
tors. eta vs tors. theta energy: -90.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1181.523160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.523160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.523160 (E_RNA)
where:
Base-Base interactions energy: -795.266
where: short stacking energy: -352.776
Base-Backbone interact. energy: -2.051
local terms energy: -384.205659
where:
bonds (distance) C4'-P energy: -67.442
bonds (distance) P-C4' energy: -73.116
flat angles C4'-P-C4' energy: -86.143
flat angles P-C4'-P energy: -47.113
tors. eta vs tors. theta energy: -110.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1056.066534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.066534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.066534 (E_RNA)
where:
Base-Base interactions energy: -690.944
where: short stacking energy: -296.164
Base-Backbone interact. energy: -0.097
local terms energy: -365.025368
where:
bonds (distance) C4'-P energy: -70.337
bonds (distance) P-C4' energy: -77.436
flat angles C4'-P-C4' energy: -73.346
flat angles P-C4'-P energy: -52.546
tors. eta vs tors. theta energy: -91.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1034.963138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.963138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.963138 (E_RNA)
where:
Base-Base interactions energy: -692.319
where: short stacking energy: -306.406
Base-Backbone interact. energy: -2.183
local terms energy: -340.460377
where:
bonds (distance) C4'-P energy: -62.706
bonds (distance) P-C4' energy: -71.667
flat angles C4'-P-C4' energy: -77.387
flat angles P-C4'-P energy: -51.707
tors. eta vs tors. theta energy: -76.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -920.149153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.149153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.149153 (E_RNA)
where:
Base-Base interactions energy: -601.265
where: short stacking energy: -261.421
Base-Backbone interact. energy: -1.789
local terms energy: -317.095240
where:
bonds (distance) C4'-P energy: -65.887
bonds (distance) P-C4' energy: -67.620
flat angles C4'-P-C4' energy: -69.382
flat angles P-C4'-P energy: -48.356
tors. eta vs tors. theta energy: -65.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -895.366715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.366715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.366715 (E_RNA)
where:
Base-Base interactions energy: -596.087
where: short stacking energy: -244.096
Base-Backbone interact. energy: -1.851
local terms energy: -297.428659
where:
bonds (distance) C4'-P energy: -69.494
bonds (distance) P-C4' energy: -59.621
flat angles C4'-P-C4' energy: -64.601
flat angles P-C4'-P energy: -44.958
tors. eta vs tors. theta energy: -58.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -617.736829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.736829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.736829 (E_RNA)
where:
Base-Base interactions energy: -346.226
where: short stacking energy: -174.405
Base-Backbone interact. energy: 0.876
local terms energy: -272.387260
where:
bonds (distance) C4'-P energy: -59.793
bonds (distance) P-C4' energy: -73.918
flat angles C4'-P-C4' energy: -62.377
flat angles P-C4'-P energy: -34.805
tors. eta vs tors. theta energy: -41.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -541.915214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.915214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.915214 (E_RNA)
where:
Base-Base interactions energy: -283.403
where: short stacking energy: -126.091
Base-Backbone interact. energy: -1.955
local terms energy: -256.557032
where:
bonds (distance) C4'-P energy: -59.142
bonds (distance) P-C4' energy: -75.728
flat angles C4'-P-C4' energy: -46.436
flat angles P-C4'-P energy: -45.118
tors. eta vs tors. theta energy: -30.132
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: 10
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -395.863756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.863756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.863756 (E_RNA)
where:
Base-Base interactions energy: -187.106
where: short stacking energy: -110.868
Base-Backbone interact. energy: 1.958
local terms energy: -210.715729
where:
bonds (distance) C4'-P energy: -67.048
bonds (distance) P-C4' energy: -51.496
flat angles C4'-P-C4' energy: -69.000
flat angles P-C4'-P energy: -32.064
tors. eta vs tors. theta energy: 8.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -316.858663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.858663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.858663 (E_RNA)
where:
Base-Base interactions energy: -129.242
where: short stacking energy: -110.053
Base-Backbone interact. energy: -0.063
local terms energy: -187.553757
where:
bonds (distance) C4'-P energy: -41.946
bonds (distance) P-C4' energy: -61.800
flat angles C4'-P-C4' energy: -57.201
flat angles P-C4'-P energy: -36.884
tors. eta vs tors. theta energy: 10.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1222.432319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.432319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.432319 (E_RNA)
where:
Base-Base interactions energy: -815.395
where: short stacking energy: -367.648
Base-Backbone interact. energy: -1.624
local terms energy: -405.413215
where:
bonds (distance) C4'-P energy: -74.862
bonds (distance) P-C4' energy: -83.120
flat angles C4'-P-C4' energy: -80.928
flat angles P-C4'-P energy: -54.433
tors. eta vs tors. theta energy: -112.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1157.941899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.941899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.941899 (E_RNA)
where:
Base-Base interactions energy: -782.103
where: short stacking energy: -328.669
Base-Backbone interact. energy: -1.772
local terms energy: -374.066343
where:
bonds (distance) C4'-P energy: -74.022
bonds (distance) P-C4' energy: -68.558
flat angles C4'-P-C4' energy: -86.924
flat angles P-C4'-P energy: -43.532
tors. eta vs tors. theta energy: -101.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1078.308489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.308489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.308489 (E_RNA)
where:
Base-Base interactions energy: -706.508
where: short stacking energy: -329.613
Base-Backbone interact. energy: 0.994
local terms energy: -372.795004
where:
bonds (distance) C4'-P energy: -67.911
bonds (distance) P-C4' energy: -74.430
flat angles C4'-P-C4' energy: -81.640
flat angles P-C4'-P energy: -51.544
tors. eta vs tors. theta energy: -97.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1037.544882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.544882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.544882 (E_RNA)
where:
Base-Base interactions energy: -682.624
where: short stacking energy: -296.588
Base-Backbone interact. energy: -1.644
local terms energy: -353.277104
where:
bonds (distance) C4'-P energy: -56.255
bonds (distance) P-C4' energy: -70.415
flat angles C4'-P-C4' energy: -85.403
flat angles P-C4'-P energy: -48.988
tors. eta vs tors. theta energy: -92.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -926.759421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.759421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.759421 (E_RNA)
where:
Base-Base interactions energy: -588.004
where: short stacking energy: -256.246
Base-Backbone interact. energy: -2.551
local terms energy: -336.204805
where:
bonds (distance) C4'-P energy: -67.020
bonds (distance) P-C4' energy: -75.292
flat angles C4'-P-C4' energy: -78.813
flat angles P-C4'-P energy: -50.705
tors. eta vs tors. theta energy: -64.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -802.433793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.433793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.433793 (E_RNA)
where:
Base-Base interactions energy: -499.767
where: short stacking energy: -240.346
Base-Backbone interact. energy: 0.388
local terms energy: -303.054727
where:
bonds (distance) C4'-P energy: -57.078
bonds (distance) P-C4' energy: -71.586
flat angles C4'-P-C4' energy: -65.648
flat angles P-C4'-P energy: -46.943
tors. eta vs tors. theta energy: -61.800
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: 84
Temperature: 1.200000
Total energy: -656.766415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.766415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.766415 (E_RNA)
where:
Base-Base interactions energy: -368.224
where: short stacking energy: -193.484
Base-Backbone interact. energy: -0.289
local terms energy: -288.253206
where:
bonds (distance) C4'-P energy: -63.931
bonds (distance) P-C4' energy: -70.870
flat angles C4'-P-C4' energy: -64.786
flat angles P-C4'-P energy: -47.184
tors. eta vs tors. theta energy: -41.483
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: 9
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -634.351494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.351494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.351494 (E_RNA)
where:
Base-Base interactions energy: -351.108
where: short stacking energy: -187.485
Base-Backbone interact. energy: -1.694
local terms energy: -281.549626
where:
bonds (distance) C4'-P energy: -63.298
bonds (distance) P-C4' energy: -59.889
flat angles C4'-P-C4' energy: -68.356
flat angles P-C4'-P energy: -51.982
tors. eta vs tors. theta energy: -38.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -420.474423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.474423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.474423 (E_RNA)
where:
Base-Base interactions energy: -200.213
where: short stacking energy: -106.805
Base-Backbone interact. energy: 3.988
local terms energy: -224.248468
where:
bonds (distance) C4'-P energy: -62.005
bonds (distance) P-C4' energy: -72.972
flat angles C4'-P-C4' energy: -42.435
flat angles P-C4'-P energy: -40.419
tors. eta vs tors. theta energy: -6.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -309.367488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.367488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.367488 (E_RNA)
where:
Base-Base interactions energy: -109.935
where: short stacking energy: -82.081
Base-Backbone interact. energy: -1.269
local terms energy: -198.163416
where:
bonds (distance) C4'-P energy: -56.059
bonds (distance) P-C4' energy: -69.206
flat angles C4'-P-C4' energy: -55.795
flat angles P-C4'-P energy: -29.492
tors. eta vs tors. theta energy: 12.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1202.653428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.653428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.653428 (E_RNA)
where:
Base-Base interactions energy: -801.616
where: short stacking energy: -370.916
Base-Backbone interact. energy: -0.647
local terms energy: -400.390488
where:
bonds (distance) C4'-P energy: -79.687
bonds (distance) P-C4' energy: -73.137
flat angles C4'-P-C4' energy: -85.250
flat angles P-C4'-P energy: -52.980
tors. eta vs tors. theta energy: -109.337
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: 85
Temperature: 0.950000
Total energy: -1164.890952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.890952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.890952 (E_RNA)
where:
Base-Base interactions energy: -809.813
where: short stacking energy: -325.955
Base-Backbone interact. energy: -0.382
local terms energy: -354.696240
where:
bonds (distance) C4'-P energy: -62.754
bonds (distance) P-C4' energy: -72.140
flat angles C4'-P-C4' energy: -81.081
flat angles P-C4'-P energy: -47.340
tors. eta vs tors. theta energy: -91.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1092.848973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.848973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.848973 (E_RNA)
where:
Base-Base interactions energy: -735.262
where: short stacking energy: -335.646
Base-Backbone interact. energy: -0.472
local terms energy: -357.115501
where:
bonds (distance) C4'-P energy: -73.112
bonds (distance) P-C4' energy: -68.088
flat angles C4'-P-C4' energy: -70.390
flat angles P-C4'-P energy: -48.409
tors. eta vs tors. theta energy: -97.117
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: 5
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1040.230720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.230720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.230720 (E_RNA)
where:
Base-Base interactions energy: -693.662
where: short stacking energy: -297.357
Base-Backbone interact. energy: 1.699
local terms energy: -348.267268
where:
bonds (distance) C4'-P energy: -71.019
bonds (distance) P-C4' energy: -69.936
flat angles C4'-P-C4' energy: -69.044
flat angles P-C4'-P energy: -50.129
tors. eta vs tors. theta energy: -88.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -960.695024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.695024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.695024 (E_RNA)
where:
Base-Base interactions energy: -631.245
where: short stacking energy: -271.190
Base-Backbone interact. energy: -2.409
local terms energy: -327.040672
where:
bonds (distance) C4'-P energy: -72.108
bonds (distance) P-C4' energy: -70.030
flat angles C4'-P-C4' energy: -74.320
flat angles P-C4'-P energy: -47.024
tors. eta vs tors. theta energy: -63.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -804.289849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.289849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.289849 (E_RNA)
where:
Base-Base interactions energy: -508.179
where: short stacking energy: -229.274
Base-Backbone interact. energy: -3.745
local terms energy: -292.365792
where:
bonds (distance) C4'-P energy: -66.808
bonds (distance) P-C4' energy: -62.037
flat angles C4'-P-C4' energy: -70.472
flat angles P-C4'-P energy: -34.259
tors. eta vs tors. theta energy: -58.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -621.503627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.503627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.503627 (E_RNA)
where:
Base-Base interactions energy: -358.322
where: short stacking energy: -192.470
Base-Backbone interact. energy: -1.307
local terms energy: -261.874580
where:
bonds (distance) C4'-P energy: -63.845
bonds (distance) P-C4' energy: -65.481
flat angles C4'-P-C4' energy: -63.781
flat angles P-C4'-P energy: -34.078
tors. eta vs tors. theta energy: -34.689
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: 10
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -485.664601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.664601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.664601 (E_RNA)
where:
Base-Base interactions energy: -257.371
where: short stacking energy: -153.709
Base-Backbone interact. energy: -0.214
local terms energy: -228.079564
where:
bonds (distance) C4'-P energy: -54.425
bonds (distance) P-C4' energy: -65.063
flat angles C4'-P-C4' energy: -54.523
flat angles P-C4'-P energy: -26.958
tors. eta vs tors. theta energy: -27.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -525.674380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.674380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.674380 (E_RNA)
where:
Base-Base interactions energy: -297.425
where: short stacking energy: -131.758
Base-Backbone interact. energy: -1.438
local terms energy: -226.811570
where:
bonds (distance) C4'-P energy: -58.279
bonds (distance) P-C4' energy: -61.728
flat angles C4'-P-C4' energy: -58.742
flat angles P-C4'-P energy: -39.370
tors. eta vs tors. theta energy: -8.692
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: 6
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -290.643507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.643507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.643507 (E_RNA)
where:
Base-Base interactions energy: -104.441
where: short stacking energy: -75.601
Base-Backbone interact. energy: 0.341
local terms energy: -186.543973
where:
bonds (distance) C4'-P energy: -46.831
bonds (distance) P-C4' energy: -71.780
flat angles C4'-P-C4' energy: -54.532
flat angles P-C4'-P energy: -34.241
tors. eta vs tors. theta energy: 20.840
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: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1212.999716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.999716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.999716 (E_RNA)
where:
Base-Base interactions energy: -844.011
where: short stacking energy: -345.792
Base-Backbone interact. energy: -1.274
local terms energy: -367.714711
where:
bonds (distance) C4'-P energy: -68.822
bonds (distance) P-C4' energy: -62.731
flat angles C4'-P-C4' energy: -81.984
flat angles P-C4'-P energy: -42.530
tors. eta vs tors. theta energy: -111.648
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: 7
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1182.649522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.649522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.649522 (E_RNA)
where:
Base-Base interactions energy: -806.440
where: short stacking energy: -327.498
Base-Backbone interact. energy: -1.574
local terms energy: -374.635396
where:
bonds (distance) C4'-P energy: -65.236
bonds (distance) P-C4' energy: -74.171
flat angles C4'-P-C4' energy: -89.992
flat angles P-C4'-P energy: -61.077
tors. eta vs tors. theta energy: -84.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1084.793631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.793631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.793631 (E_RNA)
where:
Base-Base interactions energy: -739.007
where: short stacking energy: -316.380
Base-Backbone interact. energy: -3.117
local terms energy: -342.669427
where:
bonds (distance) C4'-P energy: -72.035
bonds (distance) P-C4' energy: -68.273
flat angles C4'-P-C4' energy: -68.625
flat angles P-C4'-P energy: -47.528
tors. eta vs tors. theta energy: -86.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1033.800852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.800852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.800852 (E_RNA)
where:
Base-Base interactions energy: -664.595
where: short stacking energy: -289.521
Base-Backbone interact. energy: -0.812
local terms energy: -368.394390
where:
bonds (distance) C4'-P energy: -63.519
bonds (distance) P-C4' energy: -85.477
flat angles C4'-P-C4' energy: -71.280
flat angles P-C4'-P energy: -56.748
tors. eta vs tors. theta energy: -91.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -904.264664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.264664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.264664 (E_RNA)
where:
Base-Base interactions energy: -590.202
where: short stacking energy: -241.986
Base-Backbone interact. energy: -0.667
local terms energy: -313.396497
where:
bonds (distance) C4'-P energy: -62.253
bonds (distance) P-C4' energy: -76.153
flat angles C4'-P-C4' energy: -76.487
flat angles P-C4'-P energy: -35.269
tors. eta vs tors. theta energy: -63.236
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: 86
Temperature: 1.150000
Total energy: -821.806179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.806179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.806179 (E_RNA)
where:
Base-Base interactions energy: -535.090
where: short stacking energy: -237.864
Base-Backbone interact. energy: 1.275
local terms energy: -287.991378
where:
bonds (distance) C4'-P energy: -62.194
bonds (distance) P-C4' energy: -73.085
flat angles C4'-P-C4' energy: -64.131
flat angles P-C4'-P energy: -41.180
tors. eta vs tors. theta energy: -47.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -590.936852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.936852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.936852 (E_RNA)
where:
Base-Base interactions energy: -343.688
where: short stacking energy: -179.443
Base-Backbone interact. energy: 2.341
local terms energy: -249.590019
where:
bonds (distance) C4'-P energy: -60.986
bonds (distance) P-C4' energy: -58.572
flat angles C4'-P-C4' energy: -61.091
flat angles P-C4'-P energy: -36.278
tors. eta vs tors. theta energy: -32.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -503.352407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.352407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.352407 (E_RNA)
where:
Base-Base interactions energy: -263.511
where: short stacking energy: -151.781
Base-Backbone interact. energy: 0.592
local terms energy: -240.433276
where:
bonds (distance) C4'-P energy: -58.705
bonds (distance) P-C4' energy: -69.333
flat angles C4'-P-C4' energy: -46.244
flat angles P-C4'-P energy: -38.716
tors. eta vs tors. theta energy: -27.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -538.552281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.552281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.552281 (E_RNA)
where:
Base-Base interactions energy: -295.317
where: short stacking energy: -154.432
Base-Backbone interact. energy: -1.790
local terms energy: -241.445965
where:
bonds (distance) C4'-P energy: -46.206
bonds (distance) P-C4' energy: -77.519
flat angles C4'-P-C4' energy: -51.701
flat angles P-C4'-P energy: -38.657
tors. eta vs tors. theta energy: -27.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -290.210463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.210463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.210463 (E_RNA)
where:
Base-Base interactions energy: -101.592
where: short stacking energy: -82.343
Base-Backbone interact. energy: 0.813
local terms energy: -189.432111
where:
bonds (distance) C4'-P energy: -51.051
bonds (distance) P-C4' energy: -63.804
flat angles C4'-P-C4' energy: -63.929
flat angles P-C4'-P energy: -22.022
tors. eta vs tors. theta energy: 11.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1220.407871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.407871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.407871 (E_RNA)
where:
Base-Base interactions energy: -823.685
where: short stacking energy: -361.544
Base-Backbone interact. energy: 0.351
local terms energy: -397.074613
where:
bonds (distance) C4'-P energy: -69.982
bonds (distance) P-C4' energy: -79.220
flat angles C4'-P-C4' energy: -81.562
flat angles P-C4'-P energy: -52.954
tors. eta vs tors. theta energy: -113.356
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: 7
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1188.140892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.140892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.140892 (E_RNA)
where:
Base-Base interactions energy: -820.245
where: short stacking energy: -339.909
Base-Backbone interact. energy: 0.001
local terms energy: -367.897121
where:
bonds (distance) C4'-P energy: -67.271
bonds (distance) P-C4' energy: -77.279
flat angles C4'-P-C4' energy: -77.704
flat angles P-C4'-P energy: -42.934
tors. eta vs tors. theta energy: -102.709
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: 5
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1058.755983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.755983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.755983 (E_RNA)
where:
Base-Base interactions energy: -700.828
where: short stacking energy: -306.613
Base-Backbone interact. energy: -1.560
local terms energy: -356.367842
where:
bonds (distance) C4'-P energy: -68.713
bonds (distance) P-C4' energy: -66.458
flat angles C4'-P-C4' energy: -84.878
flat angles P-C4'-P energy: -46.620
tors. eta vs tors. theta energy: -89.699
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: 3
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1049.832360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.832360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.832360 (E_RNA)
where:
Base-Base interactions energy: -697.533
where: short stacking energy: -308.946
Base-Backbone interact. energy: -0.545
local terms energy: -351.753678
where:
bonds (distance) C4'-P energy: -67.899
bonds (distance) P-C4' energy: -70.944
flat angles C4'-P-C4' energy: -73.076
flat angles P-C4'-P energy: -45.825
tors. eta vs tors. theta energy: -94.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -956.442961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.442961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.442961 (E_RNA)
where:
Base-Base interactions energy: -627.128
where: short stacking energy: -279.084
Base-Backbone interact. energy: 1.493
local terms energy: -330.808507
where:
bonds (distance) C4'-P energy: -60.194
bonds (distance) P-C4' energy: -65.223
flat angles C4'-P-C4' energy: -67.611
flat angles P-C4'-P energy: -55.118
tors. eta vs tors. theta energy: -82.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -855.765525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.765525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.765525 (E_RNA)
where:
Base-Base interactions energy: -541.176
where: short stacking energy: -248.718
Base-Backbone interact. energy: -0.526
local terms energy: -314.063417
where:
bonds (distance) C4'-P energy: -57.202
bonds (distance) P-C4' energy: -74.740
flat angles C4'-P-C4' energy: -65.782
flat angles P-C4'-P energy: -51.330
tors. eta vs tors. theta energy: -65.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -659.165900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.165900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.165900 (E_RNA)
where:
Base-Base interactions energy: -392.261
where: short stacking energy: -187.359
Base-Backbone interact. energy: 2.864
local terms energy: -269.768887
where:
bonds (distance) C4'-P energy: -52.458
bonds (distance) P-C4' energy: -57.891
flat angles C4'-P-C4' energy: -70.534
flat angles P-C4'-P energy: -44.884
tors. eta vs tors. theta energy: -44.001
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: 8, replica: 9
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -579.835129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.835129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.835129 (E_RNA)
where:
Base-Base interactions energy: -315.924
where: short stacking energy: -166.695
Base-Backbone interact. energy: 4.385
local terms energy: -268.296260
where:
bonds (distance) C4'-P energy: -71.381
bonds (distance) P-C4' energy: -68.122
flat angles C4'-P-C4' energy: -62.244
flat angles P-C4'-P energy: -37.460
tors. eta vs tors. theta energy: -29.089
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: 87
Temperature: 1.300000
Total energy: -476.555149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.555149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.555149 (E_RNA)
where:
Base-Base interactions energy: -256.417
where: short stacking energy: -128.940
Base-Backbone interact. energy: -1.812
local terms energy: -218.326357
where:
bonds (distance) C4'-P energy: -61.191
bonds (distance) P-C4' energy: -56.696
flat angles C4'-P-C4' energy: -58.742
flat angles P-C4'-P energy: -30.553
tors. eta vs tors. theta energy: -11.144
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: 87
Temperature: 1.350000
Total energy: -328.087505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.087505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.087505 (E_RNA)
where:
Base-Base interactions energy: -120.534
where: short stacking energy: -96.578
Base-Backbone interact. energy: 1.226
local terms energy: -208.779895
where:
bonds (distance) C4'-P energy: -62.125
bonds (distance) P-C4' energy: -68.175
flat angles C4'-P-C4' energy: -45.498
flat angles P-C4'-P energy: -32.222
tors. eta vs tors. theta energy: -0.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1196.426069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.426069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.426069 (E_RNA)
where:
Base-Base interactions energy: -827.490
where: short stacking energy: -324.178
Base-Backbone interact. energy: -1.140
local terms energy: -367.796119
where:
bonds (distance) C4'-P energy: -71.351
bonds (distance) P-C4' energy: -75.892
flat angles C4'-P-C4' energy: -76.604
flat angles P-C4'-P energy: -48.186
tors. eta vs tors. theta energy: -95.763
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: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1177.347654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.347654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.347654 (E_RNA)
where:
Base-Base interactions energy: -785.540
where: short stacking energy: -351.098
Base-Backbone interact. energy: -2.184
local terms energy: -389.623870
where:
bonds (distance) C4'-P energy: -72.005
bonds (distance) P-C4' energy: -69.990
flat angles C4'-P-C4' energy: -82.149
flat angles P-C4'-P energy: -52.379
tors. eta vs tors. theta energy: -113.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1086.889393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.889393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.889393 (E_RNA)
where:
Base-Base interactions energy: -725.782
where: short stacking energy: -319.092
Base-Backbone interact. energy: 0.817
local terms energy: -361.924272
where:
bonds (distance) C4'-P energy: -63.366
bonds (distance) P-C4' energy: -68.837
flat angles C4'-P-C4' energy: -75.984
flat angles P-C4'-P energy: -59.071
tors. eta vs tors. theta energy: -94.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1060.418664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.418664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.418664 (E_RNA)
where:
Base-Base interactions energy: -692.476
where: short stacking energy: -298.929
Base-Backbone interact. energy: -1.156
local terms energy: -366.787309
where:
bonds (distance) C4'-P energy: -66.840
bonds (distance) P-C4' energy: -68.613
flat angles C4'-P-C4' energy: -76.164
flat angles P-C4'-P energy: -62.315
tors. eta vs tors. theta energy: -92.855
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: 5, replica: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -880.157949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.157949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.157949 (E_RNA)
where:
Base-Base interactions energy: -571.290
where: short stacking energy: -238.083
Base-Backbone interact. energy: -1.829
local terms energy: -307.038671
where:
bonds (distance) C4'-P energy: -76.906
bonds (distance) P-C4' energy: -62.171
flat angles C4'-P-C4' energy: -62.850
flat angles P-C4'-P energy: -48.819
tors. eta vs tors. theta energy: -56.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -828.395115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.395115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.395115 (E_RNA)
where:
Base-Base interactions energy: -518.184
where: short stacking energy: -226.627
Base-Backbone interact. energy: -4.194
local terms energy: -306.017004
where:
bonds (distance) C4'-P energy: -65.789
bonds (distance) P-C4' energy: -58.222
flat angles C4'-P-C4' energy: -66.605
flat angles P-C4'-P energy: -53.842
tors. eta vs tors. theta energy: -61.558
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: 88
Temperature: 1.200000
Total energy: -632.687819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.687819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.687819 (E_RNA)
where:
Base-Base interactions energy: -358.676
where: short stacking energy: -185.308
Base-Backbone interact. energy: -1.694
local terms energy: -272.317586
where:
bonds (distance) C4'-P energy: -69.397
bonds (distance) P-C4' energy: -61.544
flat angles C4'-P-C4' energy: -57.029
flat angles P-C4'-P energy: -55.168
tors. eta vs tors. theta energy: -29.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -583.570708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.570708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.570708 (E_RNA)
where:
Base-Base interactions energy: -347.178
where: short stacking energy: -166.309
Base-Backbone interact. energy: -1.323
local terms energy: -235.069782
where:
bonds (distance) C4'-P energy: -49.097
bonds (distance) P-C4' energy: -69.528
flat angles C4'-P-C4' energy: -55.905
flat angles P-C4'-P energy: -35.931
tors. eta vs tors. theta energy: -24.609
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: 10
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -386.218055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.218055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.218055 (E_RNA)
where:
Base-Base interactions energy: -164.543
where: short stacking energy: -108.693
Base-Backbone interact. energy: -0.329
local terms energy: -221.345317
where:
bonds (distance) C4'-P energy: -61.693
bonds (distance) P-C4' energy: -56.616
flat angles C4'-P-C4' energy: -55.838
flat angles P-C4'-P energy: -41.216
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: 10, replica: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -317.377520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.377520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.377520 (E_RNA)
where:
Base-Base interactions energy: -104.886
where: short stacking energy: -100.920
Base-Backbone interact. energy: -1.486
local terms energy: -211.005342
where:
bonds (distance) C4'-P energy: -74.062
bonds (distance) P-C4' energy: -72.717
flat angles C4'-P-C4' energy: -46.365
flat angles P-C4'-P energy: -25.874
tors. eta vs tors. theta energy: 8.012
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: 7
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1174.148164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.148164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.148164 (E_RNA)
where:
Base-Base interactions energy: -802.355
where: short stacking energy: -321.219
Base-Backbone interact. energy: -2.493
local terms energy: -369.299755
where:
bonds (distance) C4'-P energy: -70.438
bonds (distance) P-C4' energy: -78.702
flat angles C4'-P-C4' energy: -72.405
flat angles P-C4'-P energy: -56.807
tors. eta vs tors. theta energy: -90.948
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: 1
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1168.469402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.469402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.469402 (E_RNA)
where:
Base-Base interactions energy: -788.474
where: short stacking energy: -326.607
Base-Backbone interact. energy: -2.923
local terms energy: -377.072453
where:
bonds (distance) C4'-P energy: -69.836
bonds (distance) P-C4' energy: -75.388
flat angles C4'-P-C4' energy: -78.024
flat angles P-C4'-P energy: -44.608
tors. eta vs tors. theta energy: -109.217
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: 5
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1075.555976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.555976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.555976 (E_RNA)
where:
Base-Base interactions energy: -719.373
where: short stacking energy: -315.526
Base-Backbone interact. energy: -2.784
local terms energy: -353.399416
where:
bonds (distance) C4'-P energy: -70.095
bonds (distance) P-C4' energy: -77.557
flat angles C4'-P-C4' energy: -75.420
flat angles P-C4'-P energy: -35.019
tors. eta vs tors. theta energy: -95.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1063.075655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.075655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.075655 (E_RNA)
where:
Base-Base interactions energy: -705.215
where: short stacking energy: -297.277
Base-Backbone interact. energy: 0.543
local terms energy: -358.403493
where:
bonds (distance) C4'-P energy: -66.489
bonds (distance) P-C4' energy: -66.902
flat angles C4'-P-C4' energy: -81.144
flat angles P-C4'-P energy: -47.709
tors. eta vs tors. theta energy: -96.159
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: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -953.007555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.007555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.007555 (E_RNA)
where:
Base-Base interactions energy: -613.051
where: short stacking energy: -258.187
Base-Backbone interact. energy: -0.501
local terms energy: -339.455587
where:
bonds (distance) C4'-P energy: -70.439
bonds (distance) P-C4' energy: -81.003
flat angles C4'-P-C4' energy: -78.736
flat angles P-C4'-P energy: -58.601
tors. eta vs tors. theta energy: -50.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -837.288238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.288238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.288238 (E_RNA)
where:
Base-Base interactions energy: -519.814
where: short stacking energy: -225.645
Base-Backbone interact. energy: -3.033
local terms energy: -314.440867
where:
bonds (distance) C4'-P energy: -57.419
bonds (distance) P-C4' energy: -77.057
flat angles C4'-P-C4' energy: -74.467
flat angles P-C4'-P energy: -50.278
tors. eta vs tors. theta energy: -55.219
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: 7, replica: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -577.763252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.763252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.763252 (E_RNA)
where:
Base-Base interactions energy: -323.108
where: short stacking energy: -188.592
Base-Backbone interact. energy: -3.492
local terms energy: -251.163808
where:
bonds (distance) C4'-P energy: -66.017
bonds (distance) P-C4' energy: -65.541
flat angles C4'-P-C4' energy: -55.430
flat angles P-C4'-P energy: -37.209
tors. eta vs tors. theta energy: -26.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -609.173395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.173395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.173395 (E_RNA)
where:
Base-Base interactions energy: -345.530
where: short stacking energy: -158.791
Base-Backbone interact. energy: -0.863
local terms energy: -262.780696
where:
bonds (distance) C4'-P energy: -65.123
bonds (distance) P-C4' energy: -65.478
flat angles C4'-P-C4' energy: -63.232
flat angles P-C4'-P energy: -35.324
tors. eta vs tors. theta energy: -33.624
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: 10
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -369.034794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.034794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.034794 (E_RNA)
where:
Base-Base interactions energy: -181.215
where: short stacking energy: -115.914
Base-Backbone interact. energy: 1.054
local terms energy: -188.873749
where:
bonds (distance) C4'-P energy: -50.816
bonds (distance) P-C4' energy: -59.224
flat angles C4'-P-C4' energy: -53.265
flat angles P-C4'-P energy: -21.403
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: 10, replica: 6
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -348.385697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.385697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.385697 (E_RNA)
where:
Base-Base interactions energy: -161.976
where: short stacking energy: -107.648
Base-Backbone interact. energy: -1.672
local terms energy: -184.737359
where:
bonds (distance) C4'-P energy: -53.232
bonds (distance) P-C4' energy: -60.159
flat angles C4'-P-C4' energy: -42.824
flat angles P-C4'-P energy: -26.438
tors. eta vs tors. theta energy: -2.084
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: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1204.492991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.492991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.492991 (E_RNA)
where:
Base-Base interactions energy: -819.065
where: short stacking energy: -352.138
Base-Backbone interact. energy: -1.595
local terms energy: -383.832587
where:
bonds (distance) C4'-P energy: -74.513
bonds (distance) P-C4' energy: -69.089
flat angles C4'-P-C4' energy: -70.724
flat angles P-C4'-P energy: -50.378
tors. eta vs tors. theta energy: -119.129
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: 2, replica: 7
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1187.566832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.566832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.566832 (E_RNA)
where:
Base-Base interactions energy: -815.758
where: short stacking energy: -313.454
Base-Backbone interact. energy: -0.647
local terms energy: -371.161928
where:
bonds (distance) C4'-P energy: -75.899
bonds (distance) P-C4' energy: -70.175
flat angles C4'-P-C4' energy: -72.101
flat angles P-C4'-P energy: -59.808
tors. eta vs tors. theta energy: -93.179
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: 5
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1070.091561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.091561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.091561 (E_RNA)
where:
Base-Base interactions energy: -702.964
where: short stacking energy: -301.506
Base-Backbone interact. energy: -1.392
local terms energy: -365.735582
where:
bonds (distance) C4'-P energy: -69.904
bonds (distance) P-C4' energy: -78.911
flat angles C4'-P-C4' energy: -80.694
flat angles P-C4'-P energy: -42.714
tors. eta vs tors. theta energy: -93.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1039.384826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.384826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.384826 (E_RNA)
where:
Base-Base interactions energy: -689.756
where: short stacking energy: -288.637
Base-Backbone interact. energy: -1.237
local terms energy: -348.392535
where:
bonds (distance) C4'-P energy: -72.089
bonds (distance) P-C4' energy: -70.164
flat angles C4'-P-C4' energy: -81.513
flat angles P-C4'-P energy: -46.192
tors. eta vs tors. theta energy: -78.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -918.904428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.904428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.904428 (E_RNA)
where:
Base-Base interactions energy: -629.449
where: short stacking energy: -255.891
Base-Backbone interact. energy: -1.764
local terms energy: -287.691197
where:
bonds (distance) C4'-P energy: -51.894
bonds (distance) P-C4' energy: -72.937
flat angles C4'-P-C4' energy: -59.539
flat angles P-C4'-P energy: -45.167
tors. eta vs tors. theta energy: -58.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -860.046172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.046172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.046172 (E_RNA)
where:
Base-Base interactions energy: -550.531
where: short stacking energy: -243.495
Base-Backbone interact. energy: -0.030
local terms energy: -309.485459
where:
bonds (distance) C4'-P energy: -67.942
bonds (distance) P-C4' energy: -58.672
flat angles C4'-P-C4' energy: -70.038
flat angles P-C4'-P energy: -45.429
tors. eta vs tors. theta energy: -67.405
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: 8
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -598.693255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.693255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.693255 (E_RNA)
where:
Base-Base interactions energy: -344.963
where: short stacking energy: -171.307
Base-Backbone interact. energy: 1.249
local terms energy: -254.978799
where:
bonds (distance) C4'-P energy: -63.871
bonds (distance) P-C4' energy: -69.716
flat angles C4'-P-C4' energy: -62.147
flat angles P-C4'-P energy: -38.704
tors. eta vs tors. theta energy: -20.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -630.392628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.392628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.392628 (E_RNA)
where:
Base-Base interactions energy: -349.539
where: short stacking energy: -165.066
Base-Backbone interact. energy: -1.317
local terms energy: -279.536314
where:
bonds (distance) C4'-P energy: -67.367
bonds (distance) P-C4' energy: -67.777
flat angles C4'-P-C4' energy: -69.782
flat angles P-C4'-P energy: -37.635
tors. eta vs tors. theta energy: -36.976
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: 9, replica: 10
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -379.342285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.342285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.342285 (E_RNA)
where:
Base-Base interactions energy: -173.040
where: short stacking energy: -93.922
Base-Backbone interact. energy: 0.683
local terms energy: -206.985116
where:
bonds (distance) C4'-P energy: -61.380
bonds (distance) P-C4' energy: -54.643
flat angles C4'-P-C4' energy: -63.521
flat angles P-C4'-P energy: -30.293
tors. eta vs tors. theta energy: 2.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -367.278792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.278792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.278792 (E_RNA)
where:
Base-Base interactions energy: -156.331
where: short stacking energy: -94.884
Base-Backbone interact. energy: -0.293
local terms energy: -210.654420
where:
bonds (distance) C4'-P energy: -72.170
bonds (distance) P-C4' energy: -66.529
flat angles C4'-P-C4' energy: -55.217
flat angles P-C4'-P energy: -22.929
tors. eta vs tors. theta energy: 6.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1223.028715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.028715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.028715 (E_RNA)
where:
Base-Base interactions energy: -815.112
where: short stacking energy: -359.120
Base-Backbone interact. energy: 0.031
local terms energy: -407.947679
where:
bonds (distance) C4'-P energy: -74.773
bonds (distance) P-C4' energy: -77.894
flat angles C4'-P-C4' energy: -85.522
flat angles P-C4'-P energy: -53.899
tors. eta vs tors. theta energy: -115.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1122.305979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.305979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.305979 (E_RNA)
where:
Base-Base interactions energy: -736.750
where: short stacking energy: -342.537
Base-Backbone interact. energy: -1.184
local terms energy: -384.372103
where:
bonds (distance) C4'-P energy: -80.189
bonds (distance) P-C4' energy: -73.784
flat angles C4'-P-C4' energy: -77.082
flat angles P-C4'-P energy: -46.334
tors. eta vs tors. theta energy: -106.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1123.566595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.566595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.566595 (E_RNA)
where:
Base-Base interactions energy: -761.949
where: short stacking energy: -310.727
Base-Backbone interact. energy: 0.694
local terms energy: -362.311798
where:
bonds (distance) C4'-P energy: -72.224
bonds (distance) P-C4' energy: -71.019
flat angles C4'-P-C4' energy: -77.283
flat angles P-C4'-P energy: -52.238
tors. eta vs tors. theta energy: -89.548
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: 3
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1061.997700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.997700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.997700 (E_RNA)
where:
Base-Base interactions energy: -720.571
where: short stacking energy: -321.297
Base-Backbone interact. energy: -2.343
local terms energy: -339.083444
where:
bonds (distance) C4'-P energy: -57.747
bonds (distance) P-C4' energy: -60.584
flat angles C4'-P-C4' energy: -79.482
flat angles P-C4'-P energy: -55.388
tors. eta vs tors. theta energy: -85.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -938.666247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.666247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.666247 (E_RNA)
where:
Base-Base interactions energy: -619.424
where: short stacking energy: -278.215
Base-Backbone interact. energy: 0.316
local terms energy: -319.558714
where:
bonds (distance) C4'-P energy: -75.324
bonds (distance) P-C4' energy: -66.845
flat angles C4'-P-C4' energy: -65.568
flat angles P-C4'-P energy: -46.868
tors. eta vs tors. theta energy: -64.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -851.637883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.637883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.637883 (E_RNA)
where:
Base-Base interactions energy: -550.095
where: short stacking energy: -235.452
Base-Backbone interact. energy: -1.160
local terms energy: -300.382545
where:
bonds (distance) C4'-P energy: -69.812
bonds (distance) P-C4' energy: -70.992
flat angles C4'-P-C4' energy: -53.384
flat angles P-C4'-P energy: -42.638
tors. eta vs tors. theta energy: -63.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -613.248476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.248476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.248476 (E_RNA)
where:
Base-Base interactions energy: -348.132
where: short stacking energy: -181.504
Base-Backbone interact. energy: 1.105
local terms energy: -266.221778
where:
bonds (distance) C4'-P energy: -60.543
bonds (distance) P-C4' energy: -74.610
flat angles C4'-P-C4' energy: -70.964
flat angles P-C4'-P energy: -33.788
tors. eta vs tors. theta energy: -26.318
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: 9
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -666.162619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.162619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.162619 (E_RNA)
where:
Base-Base interactions energy: -414.894
where: short stacking energy: -192.099
Base-Backbone interact. energy: 1.092
local terms energy: -252.360898
where:
bonds (distance) C4'-P energy: -54.593
bonds (distance) P-C4' energy: -71.650
flat angles C4'-P-C4' energy: -61.562
flat angles P-C4'-P energy: -32.331
tors. eta vs tors. theta energy: -32.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -381.333243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.333243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.333243 (E_RNA)
where:
Base-Base interactions energy: -172.416
where: short stacking energy: -91.894
Base-Backbone interact. energy: 4.659
local terms energy: -213.575830
where:
bonds (distance) C4'-P energy: -54.465
bonds (distance) P-C4' energy: -71.330
flat angles C4'-P-C4' energy: -50.072
flat angles P-C4'-P energy: -37.146
tors. eta vs tors. theta energy: -0.563
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: 91
Temperature: 1.350000
Total energy: -357.110684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.110684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.110684 (E_RNA)
where:
Base-Base interactions energy: -169.613
where: short stacking energy: -106.059
Base-Backbone interact. energy: -1.395
local terms energy: -186.102935
where:
bonds (distance) C4'-P energy: -58.341
bonds (distance) P-C4' energy: -59.823
flat angles C4'-P-C4' energy: -47.155
flat angles P-C4'-P energy: -24.952
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: 1, replica: 1
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1200.854171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.854171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.854171 (E_RNA)
where:
Base-Base interactions energy: -809.354
where: short stacking energy: -340.475
Base-Backbone interact. energy: -4.132
local terms energy: -387.368711
where:
bonds (distance) C4'-P energy: -70.652
bonds (distance) P-C4' energy: -79.741
flat angles C4'-P-C4' energy: -84.965
flat angles P-C4'-P energy: -52.260
tors. eta vs tors. theta energy: -99.751
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: 5
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1098.216815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.216815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.216815 (E_RNA)
where:
Base-Base interactions energy: -738.349
where: short stacking energy: -341.787
Base-Backbone interact. energy: -0.610
local terms energy: -359.257441
where:
bonds (distance) C4'-P energy: -71.380
bonds (distance) P-C4' energy: -79.794
flat angles C4'-P-C4' energy: -67.359
flat angles P-C4'-P energy: -41.938
tors. eta vs tors. theta energy: -98.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1127.046417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.046417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.046417 (E_RNA)
where:
Base-Base interactions energy: -782.762
where: short stacking energy: -331.789
Base-Backbone interact. energy: -1.370
local terms energy: -342.914737
where:
bonds (distance) C4'-P energy: -66.571
bonds (distance) P-C4' energy: -69.545
flat angles C4'-P-C4' energy: -73.743
flat angles P-C4'-P energy: -45.977
tors. eta vs tors. theta energy: -87.078
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: 4, replica: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1071.985240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.985240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.985240 (E_RNA)
where:
Base-Base interactions energy: -709.867
where: short stacking energy: -304.789
Base-Backbone interact. energy: -1.520
local terms energy: -360.597957
where:
bonds (distance) C4'-P energy: -72.525
bonds (distance) P-C4' energy: -69.280
flat angles C4'-P-C4' energy: -68.833
flat angles P-C4'-P energy: -55.973
tors. eta vs tors. theta energy: -93.988
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: 2
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -979.357749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.357749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.357749 (E_RNA)
where:
Base-Base interactions energy: -668.328
where: short stacking energy: -278.030
Base-Backbone interact. energy: -0.254
local terms energy: -310.776554
where:
bonds (distance) C4'-P energy: -53.317
bonds (distance) P-C4' energy: -62.298
flat angles C4'-P-C4' energy: -63.799
flat angles P-C4'-P energy: -53.420
tors. eta vs tors. theta energy: -77.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -838.822935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.822935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.822935 (E_RNA)
where:
Base-Base interactions energy: -539.075
where: short stacking energy: -251.530
Base-Backbone interact. energy: -1.780
local terms energy: -297.968364
where:
bonds (distance) C4'-P energy: -62.130
bonds (distance) P-C4' energy: -60.651
flat angles C4'-P-C4' energy: -76.892
flat angles P-C4'-P energy: -36.264
tors. eta vs tors. theta energy: -62.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -635.399471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.399471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.399471 (E_RNA)
where:
Base-Base interactions energy: -370.684
where: short stacking energy: -193.749
Base-Backbone interact. energy: -0.883
local terms energy: -263.832125
where:
bonds (distance) C4'-P energy: -68.662
bonds (distance) P-C4' energy: -66.289
flat angles C4'-P-C4' energy: -51.405
flat angles P-C4'-P energy: -34.979
tors. eta vs tors. theta energy: -42.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -578.697962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.697962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.697962 (E_RNA)
where:
Base-Base interactions energy: -324.590
where: short stacking energy: -154.819
Base-Backbone interact. energy: -1.556
local terms energy: -252.552168
where:
bonds (distance) C4'-P energy: -65.852
bonds (distance) P-C4' energy: -66.322
flat angles C4'-P-C4' energy: -61.577
flat angles P-C4'-P energy: -37.535
tors. eta vs tors. theta energy: -21.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -433.402824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.402824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.402824 (E_RNA)
where:
Base-Base interactions energy: -208.548
where: short stacking energy: -129.881
Base-Backbone interact. energy: -1.230
local terms energy: -223.625619
where:
bonds (distance) C4'-P energy: -59.314
bonds (distance) P-C4' energy: -64.558
flat angles C4'-P-C4' energy: -62.126
flat angles P-C4'-P energy: -18.591
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: 10, replica: 10
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -385.785634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.785634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.785634 (E_RNA)
where:
Base-Base interactions energy: -177.947
where: short stacking energy: -102.784
Base-Backbone interact. energy: 1.145
local terms energy: -208.983625
where:
bonds (distance) C4'-P energy: -52.615
bonds (distance) P-C4' energy: -59.590
flat angles C4'-P-C4' energy: -61.919
flat angles P-C4'-P energy: -35.326
tors. eta vs tors. theta energy: 0.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1200.052489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.052489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.052489 (E_RNA)
where:
Base-Base interactions energy: -805.038
where: short stacking energy: -359.610
Base-Backbone interact. energy: -2.225
local terms energy: -392.788557
where:
bonds (distance) C4'-P energy: -68.688
bonds (distance) P-C4' energy: -80.857
flat angles C4'-P-C4' energy: -79.081
flat angles P-C4'-P energy: -54.542
tors. eta vs tors. theta energy: -109.621
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: 7
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1155.771281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.771281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.771281 (E_RNA)
where:
Base-Base interactions energy: -790.110
where: short stacking energy: -333.093
Base-Backbone interact. energy: 1.851
local terms energy: -367.512164
where:
bonds (distance) C4'-P energy: -65.463
bonds (distance) P-C4' energy: -76.198
flat angles C4'-P-C4' energy: -84.716
flat angles P-C4'-P energy: -50.738
tors. eta vs tors. theta energy: -90.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1070.673554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.673554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.673554 (E_RNA)
where:
Base-Base interactions energy: -695.964
where: short stacking energy: -319.197
Base-Backbone interact. energy: 1.052
local terms energy: -375.761472
where:
bonds (distance) C4'-P energy: -69.229
bonds (distance) P-C4' energy: -72.043
flat angles C4'-P-C4' energy: -75.049
flat angles P-C4'-P energy: -56.189
tors. eta vs tors. theta energy: -103.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1033.404161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.404161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.404161 (E_RNA)
where:
Base-Base interactions energy: -684.848
where: short stacking energy: -288.080
Base-Backbone interact. energy: -0.450
local terms energy: -348.105901
where:
bonds (distance) C4'-P energy: -77.181
bonds (distance) P-C4' energy: -75.662
flat angles C4'-P-C4' energy: -76.953
flat angles P-C4'-P energy: -46.538
tors. eta vs tors. theta energy: -71.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -966.890718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.890718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.890718 (E_RNA)
where:
Base-Base interactions energy: -663.019
where: short stacking energy: -273.757
Base-Backbone interact. energy: 3.998
local terms energy: -307.869485
where:
bonds (distance) C4'-P energy: -65.485
bonds (distance) P-C4' energy: -64.159
flat angles C4'-P-C4' energy: -59.875
flat angles P-C4'-P energy: -51.331
tors. eta vs tors. theta energy: -67.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -875.429647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.429647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.429647 (E_RNA)
where:
Base-Base interactions energy: -569.801
where: short stacking energy: -259.325
Base-Backbone interact. energy: -1.426
local terms energy: -304.201914
where:
bonds (distance) C4'-P energy: -58.727
bonds (distance) P-C4' energy: -66.631
flat angles C4'-P-C4' energy: -72.743
flat angles P-C4'-P energy: -46.770
tors. eta vs tors. theta energy: -59.331
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: 8
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -613.376178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.376178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.376178 (E_RNA)
where:
Base-Base interactions energy: -357.681
where: short stacking energy: -170.106
Base-Backbone interact. energy: -1.200
local terms energy: -254.495726
where:
bonds (distance) C4'-P energy: -48.732
bonds (distance) P-C4' energy: -71.666
flat angles C4'-P-C4' energy: -68.210
flat angles P-C4'-P energy: -35.237
tors. eta vs tors. theta energy: -30.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -589.619462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.619462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.619462 (E_RNA)
where:
Base-Base interactions energy: -350.674
where: short stacking energy: -142.574
Base-Backbone interact. energy: 2.210
local terms energy: -241.156348
where:
bonds (distance) C4'-P energy: -70.888
bonds (distance) P-C4' energy: -58.144
flat angles C4'-P-C4' energy: -64.292
flat angles P-C4'-P energy: -25.525
tors. eta vs tors. theta energy: -22.307
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: 93
Temperature: 1.300000
Total energy: -400.847900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.847900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.847900 (E_RNA)
where:
Base-Base interactions energy: -186.530
where: short stacking energy: -124.431
Base-Backbone interact. energy: -0.994
local terms energy: -213.324131
where:
bonds (distance) C4'-P energy: -65.347
bonds (distance) P-C4' energy: -61.531
flat angles C4'-P-C4' energy: -64.566
flat angles P-C4'-P energy: -17.610
tors. eta vs tors. theta energy: -4.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -344.011627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.011627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.011627 (E_RNA)
where:
Base-Base interactions energy: -126.987
where: short stacking energy: -71.479
Base-Backbone interact. energy: -1.095
local terms energy: -215.929421
where:
bonds (distance) C4'-P energy: -70.631
bonds (distance) P-C4' energy: -69.814
flat angles C4'-P-C4' energy: -49.237
flat angles P-C4'-P energy: -32.648
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: 1, replica: 1
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1212.385686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.385686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.385686 (E_RNA)
where:
Base-Base interactions energy: -835.379
where: short stacking energy: -358.409
Base-Backbone interact. energy: -2.475
local terms energy: -374.531225
where:
bonds (distance) C4'-P energy: -61.599
bonds (distance) P-C4' energy: -78.033
flat angles C4'-P-C4' energy: -78.071
flat angles P-C4'-P energy: -48.461
tors. eta vs tors. theta energy: -108.367
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: 94
Temperature: 0.950000
Total energy: -1187.281928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.281928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.281928 (E_RNA)
where:
Base-Base interactions energy: -811.550
where: short stacking energy: -326.264
Base-Backbone interact. energy: -0.785
local terms energy: -374.947330
where:
bonds (distance) C4'-P energy: -65.241
bonds (distance) P-C4' energy: -83.997
flat angles C4'-P-C4' energy: -79.152
flat angles P-C4'-P energy: -51.452
tors. eta vs tors. theta energy: -95.105
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: 5
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1052.393869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.393869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.393869 (E_RNA)
where:
Base-Base interactions energy: -700.584
where: short stacking energy: -294.037
Base-Backbone interact. energy: -1.401
local terms energy: -350.408321
where:
bonds (distance) C4'-P energy: -80.758
bonds (distance) P-C4' energy: -63.126
flat angles C4'-P-C4' energy: -76.406
flat angles P-C4'-P energy: -47.662
tors. eta vs tors. theta energy: -82.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -1027.929597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.929597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.929597 (E_RNA)
where:
Base-Base interactions energy: -666.186
where: short stacking energy: -288.260
Base-Backbone interact. energy: 1.285
local terms energy: -363.028588
where:
bonds (distance) C4'-P energy: -79.392
bonds (distance) P-C4' energy: -70.546
flat angles C4'-P-C4' energy: -70.874
flat angles P-C4'-P energy: -61.981
tors. eta vs tors. theta energy: -80.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -990.739395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.739395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.739395 (E_RNA)
where:
Base-Base interactions energy: -681.446
where: short stacking energy: -267.213
Base-Backbone interact. energy: -1.330
local terms energy: -307.963458
where:
bonds (distance) C4'-P energy: -61.667
bonds (distance) P-C4' energy: -66.644
flat angles C4'-P-C4' energy: -65.338
flat angles P-C4'-P energy: -45.203
tors. eta vs tors. theta energy: -69.112
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: 4
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -876.355159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.355159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.355159 (E_RNA)
where:
Base-Base interactions energy: -560.138
where: short stacking energy: -257.888
Base-Backbone interact. energy: 2.419
local terms energy: -318.636163
where:
bonds (distance) C4'-P energy: -64.901
bonds (distance) P-C4' energy: -63.032
flat angles C4'-P-C4' energy: -71.825
flat angles P-C4'-P energy: -51.458
tors. eta vs tors. theta energy: -67.421
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: 8
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -631.562372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.562372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.562372 (E_RNA)
where:
Base-Base interactions energy: -367.323
where: short stacking energy: -187.317
Base-Backbone interact. energy: 0.595
local terms energy: -264.834318
where:
bonds (distance) C4'-P energy: -65.903
bonds (distance) P-C4' energy: -73.176
flat angles C4'-P-C4' energy: -63.555
flat angles P-C4'-P energy: -36.662
tors. eta vs tors. theta energy: -25.537
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: 9
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -527.104011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.104011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.104011 (E_RNA)
where:
Base-Base interactions energy: -299.954
where: short stacking energy: -140.092
Base-Backbone interact. energy: -2.527
local terms energy: -224.622969
where:
bonds (distance) C4'-P energy: -71.411
bonds (distance) P-C4' energy: -47.047
flat angles C4'-P-C4' energy: -66.464
flat angles P-C4'-P energy: -27.606
tors. eta vs tors. theta energy: -12.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -360.354443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.354443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.354443 (E_RNA)
where:
Base-Base interactions energy: -158.836
where: short stacking energy: -84.658
Base-Backbone interact. energy: -1.100
local terms energy: -200.418451
where:
bonds (distance) C4'-P energy: -54.350
bonds (distance) P-C4' energy: -68.872
flat angles C4'-P-C4' energy: -52.392
flat angles P-C4'-P energy: -32.409
tors. eta vs tors. theta energy: 7.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -372.122986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.122986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.122986 (E_RNA)
where:
Base-Base interactions energy: -154.912
where: short stacking energy: -104.638
Base-Backbone interact. energy: -1.820
local terms energy: -215.390968
where:
bonds (distance) C4'-P energy: -66.556
bonds (distance) P-C4' energy: -62.609
flat angles C4'-P-C4' energy: -46.258
flat angles P-C4'-P energy: -43.209
tors. eta vs tors. theta energy: 3.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1207.698955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.698955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.698955 (E_RNA)
where:
Base-Base interactions energy: -810.206
where: short stacking energy: -367.190
Base-Backbone interact. energy: 1.793
local terms energy: -399.286023
where:
bonds (distance) C4'-P energy: -80.251
bonds (distance) P-C4' energy: -79.461
flat angles C4'-P-C4' energy: -86.314
flat angles P-C4'-P energy: -48.412
tors. eta vs tors. theta energy: -104.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1186.517496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.517496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.517496 (E_RNA)
where:
Base-Base interactions energy: -788.014
where: short stacking energy: -338.092
Base-Backbone interact. energy: -0.564
local terms energy: -397.939352
where:
bonds (distance) C4'-P energy: -78.810
bonds (distance) P-C4' energy: -79.692
flat angles C4'-P-C4' energy: -86.880
flat angles P-C4'-P energy: -56.217
tors. eta vs tors. theta energy: -96.341
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: 5
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1050.490453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.490453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.490453 (E_RNA)
where:
Base-Base interactions energy: -684.585
where: short stacking energy: -298.249
Base-Backbone interact. energy: 2.254
local terms energy: -368.158559
where:
bonds (distance) C4'-P energy: -79.969
bonds (distance) P-C4' energy: -77.271
flat angles C4'-P-C4' energy: -74.899
flat angles P-C4'-P energy: -42.399
tors. eta vs tors. theta energy: -93.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1047.291197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.291197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.291197 (E_RNA)
where:
Base-Base interactions energy: -701.980
where: short stacking energy: -295.533
Base-Backbone interact. energy: -1.753
local terms energy: -343.558029
where:
bonds (distance) C4'-P energy: -67.253
bonds (distance) P-C4' energy: -73.568
flat angles C4'-P-C4' energy: -69.152
flat angles P-C4'-P energy: -60.806
tors. eta vs tors. theta energy: -72.779
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: 2
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -950.333243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.333243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.333243 (E_RNA)
where:
Base-Base interactions energy: -638.721
where: short stacking energy: -269.062
Base-Backbone interact. energy: -1.617
local terms energy: -309.995548
where:
bonds (distance) C4'-P energy: -65.749
bonds (distance) P-C4' energy: -54.837
flat angles C4'-P-C4' energy: -69.847
flat angles P-C4'-P energy: -49.109
tors. eta vs tors. theta energy: -70.454
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: 4
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -897.958761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.958761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.958761 (E_RNA)
where:
Base-Base interactions energy: -583.462
where: short stacking energy: -251.329
Base-Backbone interact. energy: -1.586
local terms energy: -312.910224
where:
bonds (distance) C4'-P energy: -68.187
bonds (distance) P-C4' energy: -64.882
flat angles C4'-P-C4' energy: -72.109
flat angles P-C4'-P energy: -42.668
tors. eta vs tors. theta energy: -65.065
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: 8
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -619.715231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.715231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.715231 (E_RNA)
where:
Base-Base interactions energy: -373.397
where: short stacking energy: -187.731
Base-Backbone interact. energy: 3.647
local terms energy: -249.964702
where:
bonds (distance) C4'-P energy: -62.036
bonds (distance) P-C4' energy: -67.661
flat angles C4'-P-C4' energy: -41.953
flat angles P-C4'-P energy: -40.434
tors. eta vs tors. theta energy: -37.881
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: 9
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -530.573991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.573991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.573991 (E_RNA)
where:
Base-Base interactions energy: -292.179
where: short stacking energy: -147.825
Base-Backbone interact. energy: 1.930
local terms energy: -240.325104
where:
bonds (distance) C4'-P energy: -53.636
bonds (distance) P-C4' energy: -54.237
flat angles C4'-P-C4' energy: -65.752
flat angles P-C4'-P energy: -42.892
tors. eta vs tors. theta energy: -23.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -379.315027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.315027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.315027 (E_RNA)
where:
Base-Base interactions energy: -166.680
where: short stacking energy: -101.029
Base-Backbone interact. energy: -2.546
local terms energy: -210.088616
where:
bonds (distance) C4'-P energy: -62.467
bonds (distance) P-C4' energy: -63.505
flat angles C4'-P-C4' energy: -55.697
flat angles P-C4'-P energy: -23.422
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: 6
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -344.798459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.798459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.798459 (E_RNA)
where:
Base-Base interactions energy: -144.563
where: short stacking energy: -97.546
Base-Backbone interact. energy: 6.444
local terms energy: -206.679665
where:
bonds (distance) C4'-P energy: -62.527
bonds (distance) P-C4' energy: -50.997
flat angles C4'-P-C4' energy: -64.209
flat angles P-C4'-P energy: -27.321
tors. eta vs tors. theta energy: -1.625
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: 1
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1241.985217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.985217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.985217 (E_RNA)
where:
Base-Base interactions energy: -835.016
where: short stacking energy: -381.615
Base-Backbone interact. energy: -0.266
local terms energy: -406.703959
where:
bonds (distance) C4'-P energy: -86.572
bonds (distance) P-C4' energy: -74.666
flat angles C4'-P-C4' energy: -78.402
flat angles P-C4'-P energy: -55.367
tors. eta vs tors. theta energy: -111.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1188.330513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.330513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.330513 (E_RNA)
where:
Base-Base interactions energy: -813.725
where: short stacking energy: -332.766
Base-Backbone interact. energy: -1.349
local terms energy: -373.256510
where:
bonds (distance) C4'-P energy: -74.839
bonds (distance) P-C4' energy: -74.641
flat angles C4'-P-C4' energy: -77.015
flat angles P-C4'-P energy: -49.695
tors. eta vs tors. theta energy: -97.066
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: 3
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1034.600696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.600696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.600696 (E_RNA)
where:
Base-Base interactions energy: -690.491
where: short stacking energy: -290.113
Base-Backbone interact. energy: 1.847
local terms energy: -345.956767
where:
bonds (distance) C4'-P energy: -68.856
bonds (distance) P-C4' energy: -79.357
flat angles C4'-P-C4' energy: -69.676
flat angles P-C4'-P energy: -58.256
tors. eta vs tors. theta energy: -69.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1000.857657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.857657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.857657 (E_RNA)
where:
Base-Base interactions energy: -689.240
where: short stacking energy: -284.388
Base-Backbone interact. energy: 1.941
local terms energy: -313.557972
where:
bonds (distance) C4'-P energy: -58.031
bonds (distance) P-C4' energy: -65.620
flat angles C4'-P-C4' energy: -74.615
flat angles P-C4'-P energy: -46.979
tors. eta vs tors. theta energy: -68.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -933.079611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.079611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.079611 (E_RNA)
where:
Base-Base interactions energy: -619.387
where: short stacking energy: -263.803
Base-Backbone interact. energy: -0.173
local terms energy: -313.520051
where:
bonds (distance) C4'-P energy: -62.538
bonds (distance) P-C4' energy: -67.195
flat angles C4'-P-C4' energy: -73.717
flat angles P-C4'-P energy: -42.997
tors. eta vs tors. theta energy: -67.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -835.539546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.539546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.539546 (E_RNA)
where:
Base-Base interactions energy: -520.135
where: short stacking energy: -243.168
Base-Backbone interact. energy: 0.176
local terms energy: -315.581122
where:
bonds (distance) C4'-P energy: -71.948
bonds (distance) P-C4' energy: -74.406
flat angles C4'-P-C4' energy: -67.278
flat angles P-C4'-P energy: -50.343
tors. eta vs tors. theta energy: -51.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -687.259009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.259009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.259009 (E_RNA)
where:
Base-Base interactions energy: -402.639
where: short stacking energy: -214.576
Base-Backbone interact. energy: -1.726
local terms energy: -282.893903
where:
bonds (distance) C4'-P energy: -75.197
bonds (distance) P-C4' energy: -56.567
flat angles C4'-P-C4' energy: -63.726
flat angles P-C4'-P energy: -37.757
tors. eta vs tors. theta energy: -49.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -511.195692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.195692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.195692 (E_RNA)
where:
Base-Base interactions energy: -269.343
where: short stacking energy: -140.593
Base-Backbone interact. energy: 1.186
local terms energy: -243.038484
where:
bonds (distance) C4'-P energy: -59.047
bonds (distance) P-C4' energy: -57.403
flat angles C4'-P-C4' energy: -61.097
flat angles P-C4'-P energy: -37.222
tors. eta vs tors. theta energy: -28.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -392.904670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.904670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.904670 (E_RNA)
where:
Base-Base interactions energy: -187.903
where: short stacking energy: -100.082
Base-Backbone interact. energy: -1.318
local terms energy: -203.683634
where:
bonds (distance) C4'-P energy: -54.108
bonds (distance) P-C4' energy: -58.308
flat angles C4'-P-C4' energy: -56.053
flat angles P-C4'-P energy: -28.826
tors. eta vs tors. theta energy: -6.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -312.792407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.792407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.792407 (E_RNA)
where:
Base-Base interactions energy: -108.617
where: short stacking energy: -71.525
Base-Backbone interact. energy: -2.487
local terms energy: -201.688326
where:
bonds (distance) C4'-P energy: -71.666
bonds (distance) P-C4' energy: -70.505
flat angles C4'-P-C4' energy: -45.920
flat angles P-C4'-P energy: -24.004
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: 1, replica: 1
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1210.133007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.133007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.133007 (E_RNA)
where:
Base-Base interactions energy: -825.479
where: short stacking energy: -357.378
Base-Backbone interact. energy: -1.539
local terms energy: -383.114725
where:
bonds (distance) C4'-P energy: -76.068
bonds (distance) P-C4' energy: -67.063
flat angles C4'-P-C4' energy: -72.418
flat angles P-C4'-P energy: -58.667
tors. eta vs tors. theta energy: -108.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1174.192282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.192282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.192282 (E_RNA)
where:
Base-Base interactions energy: -806.181
where: short stacking energy: -323.167
Base-Backbone interact. energy: 2.173
local terms energy: -370.184367
where:
bonds (distance) C4'-P energy: -78.959
bonds (distance) P-C4' energy: -68.298
flat angles C4'-P-C4' energy: -76.365
flat angles P-C4'-P energy: -61.721
tors. eta vs tors. theta energy: -84.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1045.769151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.769151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.769151 (E_RNA)
where:
Base-Base interactions energy: -679.428
where: short stacking energy: -290.367
Base-Backbone interact. energy: -0.679
local terms energy: -365.661638
where:
bonds (distance) C4'-P energy: -79.805
bonds (distance) P-C4' energy: -77.884
flat angles C4'-P-C4' energy: -78.096
flat angles P-C4'-P energy: -45.009
tors. eta vs tors. theta energy: -84.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -994.622739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.622739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.622739 (E_RNA)
where:
Base-Base interactions energy: -689.136
where: short stacking energy: -302.369
Base-Backbone interact. energy: -0.802
local terms energy: -304.684039
where:
bonds (distance) C4'-P energy: -62.447
bonds (distance) P-C4' energy: -67.425
flat angles C4'-P-C4' energy: -63.545
flat angles P-C4'-P energy: -36.105
tors. eta vs tors. theta energy: -75.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -953.614554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.614554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.614554 (E_RNA)
where:
Base-Base interactions energy: -659.999
where: short stacking energy: -266.295
Base-Backbone interact. energy: -0.603
local terms energy: -293.012691
where:
bonds (distance) C4'-P energy: -60.917
bonds (distance) P-C4' energy: -71.020
flat angles C4'-P-C4' energy: -56.461
flat angles P-C4'-P energy: -42.026
tors. eta vs tors. theta energy: -62.589
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: 6, replica: 4
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -821.977249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.977249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.977249 (E_RNA)
where:
Base-Base interactions energy: -519.798
where: short stacking energy: -251.498
Base-Backbone interact. energy: -2.606
local terms energy: -299.573221
where:
bonds (distance) C4'-P energy: -62.246
bonds (distance) P-C4' energy: -70.058
flat angles C4'-P-C4' energy: -70.884
flat angles P-C4'-P energy: -40.304
tors. eta vs tors. theta energy: -56.080
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: 8
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -632.788166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.788166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.788166 (E_RNA)
where:
Base-Base interactions energy: -360.555
where: short stacking energy: -193.304
Base-Backbone interact. energy: -2.285
local terms energy: -269.948090
where:
bonds (distance) C4'-P energy: -83.788
bonds (distance) P-C4' energy: -69.298
flat angles C4'-P-C4' energy: -53.049
flat angles P-C4'-P energy: -38.855
tors. eta vs tors. theta energy: -24.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -529.749669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.749669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.749669 (E_RNA)
where:
Base-Base interactions energy: -271.331
where: short stacking energy: -157.239
Base-Backbone interact. energy: 1.556
local terms energy: -259.974630
where:
bonds (distance) C4'-P energy: -69.918
bonds (distance) P-C4' energy: -57.846
flat angles C4'-P-C4' energy: -67.879
flat angles P-C4'-P energy: -37.802
tors. eta vs tors. theta energy: -26.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -385.055619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.055619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.055619 (E_RNA)
where:
Base-Base interactions energy: -149.990
where: short stacking energy: -98.158
Base-Backbone interact. energy: -1.357
local terms energy: -233.707888
where:
bonds (distance) C4'-P energy: -58.164
bonds (distance) P-C4' energy: -72.600
flat angles C4'-P-C4' energy: -63.367
flat angles P-C4'-P energy: -37.867
tors. eta vs tors. theta energy: -1.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -296.835098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.835098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.835098 (E_RNA)
where:
Base-Base interactions energy: -92.013
where: short stacking energy: -86.784
Base-Backbone interact. energy: 0.007
local terms energy: -204.829243
where:
bonds (distance) C4'-P energy: -67.300
bonds (distance) P-C4' energy: -65.457
flat angles C4'-P-C4' energy: -59.831
flat angles P-C4'-P energy: -26.107
tors. eta vs tors. theta energy: 13.866
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: 1, replica: 1
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1236.807642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.807642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.807642 (E_RNA)
where:
Base-Base interactions energy: -830.968
where: short stacking energy: -377.544
Base-Backbone interact. energy: -0.887
local terms energy: -404.952697
where:
bonds (distance) C4'-P energy: -74.923
bonds (distance) P-C4' energy: -74.785
flat angles C4'-P-C4' energy: -84.564
flat angles P-C4'-P energy: -52.157
tors. eta vs tors. theta energy: -118.523
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: 7
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1188.184599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.184599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.184599 (E_RNA)
where:
Base-Base interactions energy: -806.368
where: short stacking energy: -351.545
Base-Backbone interact. energy: -0.579
local terms energy: -381.237522
where:
bonds (distance) C4'-P energy: -74.526
bonds (distance) P-C4' energy: -74.699
flat angles C4'-P-C4' energy: -73.397
flat angles P-C4'-P energy: -62.966
tors. eta vs tors. theta energy: -95.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1028.493197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.493197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.493197 (E_RNA)
where:
Base-Base interactions energy: -679.605
where: short stacking energy: -305.407
Base-Backbone interact. energy: 1.432
local terms energy: -350.320313
where:
bonds (distance) C4'-P energy: -61.741
bonds (distance) P-C4' energy: -75.176
flat angles C4'-P-C4' energy: -79.303
flat angles P-C4'-P energy: -55.550
tors. eta vs tors. theta energy: -78.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1026.924238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.924238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.924238 (E_RNA)
where:
Base-Base interactions energy: -689.443
where: short stacking energy: -304.719
Base-Backbone interact. energy: -2.369
local terms energy: -335.112279
where:
bonds (distance) C4'-P energy: -63.380
bonds (distance) P-C4' energy: -68.555
flat angles C4'-P-C4' energy: -65.661
flat angles P-C4'-P energy: -39.516
tors. eta vs tors. theta energy: -98.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -983.738122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.738122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.738122 (E_RNA)
where:
Base-Base interactions energy: -672.115
where: short stacking energy: -271.897
Base-Backbone interact. energy: -1.505
local terms energy: -310.118130
where:
bonds (distance) C4'-P energy: -60.541
bonds (distance) P-C4' energy: -73.594
flat angles C4'-P-C4' energy: -65.913
flat angles P-C4'-P energy: -44.020
tors. eta vs tors. theta energy: -66.050
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: 6, replica: 4
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -815.945821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.945821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.945821 (E_RNA)
where:
Base-Base interactions energy: -516.483
where: short stacking energy: -228.910
Base-Backbone interact. energy: 0.123
local terms energy: -299.585667
where:
bonds (distance) C4'-P energy: -70.614
bonds (distance) P-C4' energy: -68.570
flat angles C4'-P-C4' energy: -71.728
flat angles P-C4'-P energy: -36.335
tors. eta vs tors. theta energy: -52.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -571.676137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.676137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.676137 (E_RNA)
where:
Base-Base interactions energy: -315.214
where: short stacking energy: -173.421
Base-Backbone interact. energy: -0.547
local terms energy: -255.914824
where:
bonds (distance) C4'-P energy: -64.037
bonds (distance) P-C4' energy: -73.929
flat angles C4'-P-C4' energy: -57.312
flat angles P-C4'-P energy: -46.224
tors. eta vs tors. theta energy: -14.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -600.771880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.771880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.771880 (E_RNA)
where:
Base-Base interactions energy: -342.260
where: short stacking energy: -168.166
Base-Backbone interact. energy: -1.184
local terms energy: -257.328243
where:
bonds (distance) C4'-P energy: -68.443
bonds (distance) P-C4' energy: -54.787
flat angles C4'-P-C4' energy: -52.225
flat angles P-C4'-P energy: -38.869
tors. eta vs tors. theta energy: -43.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -443.852987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.852987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.852987 (E_RNA)
where:
Base-Base interactions energy: -231.453
where: short stacking energy: -128.607
Base-Backbone interact. energy: 0.103
local terms energy: -212.502896
where:
bonds (distance) C4'-P energy: -49.820
bonds (distance) P-C4' energy: -67.415
flat angles C4'-P-C4' energy: -56.198
flat angles P-C4'-P energy: -34.964
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: 10, replica: 6
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -304.351144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.351144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.351144 (E_RNA)
where:
Base-Base interactions energy: -114.800
where: short stacking energy: -83.480
Base-Backbone interact. energy: -0.391
local terms energy: -189.160185
where:
bonds (distance) C4'-P energy: -66.897
bonds (distance) P-C4' energy: -66.976
flat angles C4'-P-C4' energy: -51.705
flat angles P-C4'-P energy: -24.914
tors. eta vs tors. theta energy: 21.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1204.507252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.507252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.507252 (E_RNA)
where:
Base-Base interactions energy: -828.069
where: short stacking energy: -366.937
Base-Backbone interact. energy: 1.168
local terms energy: -377.605730
where:
bonds (distance) C4'-P energy: -68.979
bonds (distance) P-C4' energy: -75.132
flat angles C4'-P-C4' energy: -84.767
flat angles P-C4'-P energy: -44.199
tors. eta vs tors. theta energy: -104.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1188.526416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.526416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.526416 (E_RNA)
where:
Base-Base interactions energy: -818.618
where: short stacking energy: -345.327
Base-Backbone interact. energy: -2.327
local terms energy: -367.580842
where:
bonds (distance) C4'-P energy: -59.947
bonds (distance) P-C4' energy: -81.853
flat angles C4'-P-C4' energy: -82.719
flat angles P-C4'-P energy: -44.529
tors. eta vs tors. theta energy: -98.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1062.092369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.092369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.092369 (E_RNA)
where:
Base-Base interactions energy: -714.448
where: short stacking energy: -306.934
Base-Backbone interact. energy: 1.430
local terms energy: -349.074293
where:
bonds (distance) C4'-P energy: -60.367
bonds (distance) P-C4' energy: -79.182
flat angles C4'-P-C4' energy: -75.409
flat angles P-C4'-P energy: -48.362
tors. eta vs tors. theta energy: -85.754
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: 5
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1019.829541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.829541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.829541 (E_RNA)
where:
Base-Base interactions energy: -712.111
where: short stacking energy: -299.865
Base-Backbone interact. energy: -2.375
local terms energy: -305.343341
where:
bonds (distance) C4'-P energy: -62.036
bonds (distance) P-C4' energy: -59.386
flat angles C4'-P-C4' energy: -63.568
flat angles P-C4'-P energy: -41.451
tors. eta vs tors. theta energy: -78.902
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: 2
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1031.710156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.710156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.710156 (E_RNA)
where:
Base-Base interactions energy: -713.018
where: short stacking energy: -292.102
Base-Backbone interact. energy: -2.662
local terms energy: -316.030996
where:
bonds (distance) C4'-P energy: -65.573
bonds (distance) P-C4' energy: -58.744
flat angles C4'-P-C4' energy: -70.996
flat angles P-C4'-P energy: -39.794
tors. eta vs tors. theta energy: -80.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -820.568720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.568720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.568720 (E_RNA)
where:
Base-Base interactions energy: -496.394
where: short stacking energy: -232.248
Base-Backbone interact. energy: -1.616
local terms energy: -322.559058
where:
bonds (distance) C4'-P energy: -70.395
bonds (distance) P-C4' energy: -72.101
flat angles C4'-P-C4' energy: -71.689
flat angles P-C4'-P energy: -47.114
tors. eta vs tors. theta energy: -61.260
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: 9
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -597.708358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.708358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.708358 (E_RNA)
where:
Base-Base interactions energy: -339.044
where: short stacking energy: -138.342
Base-Backbone interact. energy: -1.133
local terms energy: -257.531824
where:
bonds (distance) C4'-P energy: -68.797
bonds (distance) P-C4' energy: -73.927
flat angles C4'-P-C4' energy: -57.763
flat angles P-C4'-P energy: -38.917
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: 8, replica: 8
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -591.599180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.599180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.599180 (E_RNA)
where:
Base-Base interactions energy: -324.180
where: short stacking energy: -171.679
Base-Backbone interact. energy: -2.397
local terms energy: -265.022175
where:
bonds (distance) C4'-P energy: -63.204
bonds (distance) P-C4' energy: -64.973
flat angles C4'-P-C4' energy: -57.983
flat angles P-C4'-P energy: -43.293
tors. eta vs tors. theta energy: -35.569
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: 9, replica: 10
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -452.680387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.680387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.680387 (E_RNA)
where:
Base-Base interactions energy: -237.596
where: short stacking energy: -114.304
Base-Backbone interact. energy: 0.907
local terms energy: -215.990922
where:
bonds (distance) C4'-P energy: -53.948
bonds (distance) P-C4' energy: -62.373
flat angles C4'-P-C4' energy: -53.467
flat angles P-C4'-P energy: -37.098
tors. eta vs tors. theta energy: -9.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -299.623573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.623573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.623573 (E_RNA)
where:
Base-Base interactions energy: -105.984
where: short stacking energy: -74.202
Base-Backbone interact. energy: 0.006
local terms energy: -193.644740
where:
bonds (distance) C4'-P energy: -53.953
bonds (distance) P-C4' energy: -64.549
flat angles C4'-P-C4' energy: -55.294
flat angles P-C4'-P energy: -32.419
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: 1, replica: 1
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1241.042581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.042581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.042581 (E_RNA)
where:
Base-Base interactions energy: -840.786
where: short stacking energy: -365.156
Base-Backbone interact. energy: -1.050
local terms energy: -399.205689
where:
bonds (distance) C4'-P energy: -70.768
bonds (distance) P-C4' energy: -78.801
flat angles C4'-P-C4' energy: -79.695
flat angles P-C4'-P energy: -55.471
tors. eta vs tors. theta energy: -114.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1180.894719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.894719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.894719 (E_RNA)
where:
Base-Base interactions energy: -808.060
where: short stacking energy: -348.311
Base-Backbone interact. energy: -1.650
local terms energy: -371.184720
where:
bonds (distance) C4'-P energy: -70.144
bonds (distance) P-C4' energy: -67.497
flat angles C4'-P-C4' energy: -81.418
flat angles P-C4'-P energy: -58.439
tors. eta vs tors. theta energy: -93.687
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: 5
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1052.897072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.897072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.897072 (E_RNA)
where:
Base-Base interactions energy: -714.325
where: short stacking energy: -281.201
Base-Backbone interact. energy: 2.967
local terms energy: -341.538872
where:
bonds (distance) C4'-P energy: -63.571
bonds (distance) P-C4' energy: -71.867
flat angles C4'-P-C4' energy: -76.378
flat angles P-C4'-P energy: -48.512
tors. eta vs tors. theta energy: -81.211
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: 3
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1018.006277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.006277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.006277 (E_RNA)
where:
Base-Base interactions energy: -692.583
where: short stacking energy: -274.575
Base-Backbone interact. energy: -2.500
local terms energy: -322.922753
where:
bonds (distance) C4'-P energy: -60.261
bonds (distance) P-C4' energy: -63.207
flat angles C4'-P-C4' energy: -67.906
flat angles P-C4'-P energy: -49.524
tors. eta vs tors. theta energy: -82.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -987.229372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.229372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.229372 (E_RNA)
where:
Base-Base interactions energy: -673.142
where: short stacking energy: -274.165
Base-Backbone interact. energy: -0.127
local terms energy: -313.960504
where:
bonds (distance) C4'-P energy: -58.919
bonds (distance) P-C4' energy: -73.320
flat angles C4'-P-C4' energy: -59.672
flat angles P-C4'-P energy: -55.940
tors. eta vs tors. theta energy: -66.110
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: 4
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -808.444396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.444396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.444396 (E_RNA)
where:
Base-Base interactions energy: -516.392
where: short stacking energy: -234.053
Base-Backbone interact. energy: 0.166
local terms energy: -292.218447
where:
bonds (distance) C4'-P energy: -51.292
bonds (distance) P-C4' energy: -61.017
flat angles C4'-P-C4' energy: -71.739
flat angles P-C4'-P energy: -42.291
tors. eta vs tors. theta energy: -65.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -638.580372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.580372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.580372 (E_RNA)
where:
Base-Base interactions energy: -386.607
where: short stacking energy: -184.914
Base-Backbone interact. energy: -1.042
local terms energy: -250.931356
where:
bonds (distance) C4'-P energy: -67.276
bonds (distance) P-C4' energy: -55.347
flat angles C4'-P-C4' energy: -54.275
flat angles P-C4'-P energy: -40.161
tors. eta vs tors. theta energy: -33.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -581.389890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.389890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.389890 (E_RNA)
where:
Base-Base interactions energy: -327.592
where: short stacking energy: -164.789
Base-Backbone interact. energy: -0.748
local terms energy: -253.049612
where:
bonds (distance) C4'-P energy: -68.770
bonds (distance) P-C4' energy: -72.061
flat angles C4'-P-C4' energy: -57.970
flat angles P-C4'-P energy: -19.948
tors. eta vs tors. theta energy: -34.302
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: 10
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -396.701530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.701530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.701530 (E_RNA)
where:
Base-Base interactions energy: -205.241
where: short stacking energy: -113.013
Base-Backbone interact. energy: -1.487
local terms energy: -189.973241
where:
bonds (distance) C4'-P energy: -68.204
bonds (distance) P-C4' energy: -52.723
flat angles C4'-P-C4' energy: -32.563
flat angles P-C4'-P energy: -30.450
tors. eta vs tors. theta energy: -6.033
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: 10, replica: 6
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -282.900151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.900151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.900151 (E_RNA)
where:
Base-Base interactions energy: -116.089
where: short stacking energy: -67.033
Base-Backbone interact. energy: 5.218
local terms energy: -172.029348
where:
bonds (distance) C4'-P energy: -51.518
bonds (distance) P-C4' energy: -55.515
flat angles C4'-P-C4' energy: -46.921
flat angles P-C4'-P energy: -36.290
tors. eta vs tors. theta energy: 18.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1231.575703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.575703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.575703 (E_RNA)
where:
Base-Base interactions energy: -811.946
where: short stacking energy: -351.848
Base-Backbone interact. energy: -1.070
local terms energy: -418.559247
where:
bonds (distance) C4'-P energy: -79.484
bonds (distance) P-C4' energy: -83.978
flat angles C4'-P-C4' energy: -84.853
flat angles P-C4'-P energy: -59.354
tors. eta vs tors. theta energy: -110.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1178.793403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.793403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.793403 (E_RNA)
where:
Base-Base interactions energy: -795.786
where: short stacking energy: -340.205
Base-Backbone interact. energy: -3.451
local terms energy: -379.557071
where:
bonds (distance) C4'-P energy: -77.568
bonds (distance) P-C4' energy: -75.028
flat angles C4'-P-C4' energy: -80.043
flat angles P-C4'-P energy: -49.107
tors. eta vs tors. theta energy: -97.811
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: 101
Temperature: 1.000000
Total energy: -1065.168097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.168097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.168097 (E_RNA)
where:
Base-Base interactions energy: -701.621
where: short stacking energy: -315.548
Base-Backbone interact. energy: -1.593
local terms energy: -361.954175
where:
bonds (distance) C4'-P energy: -75.550
bonds (distance) P-C4' energy: -68.018
flat angles C4'-P-C4' energy: -74.150
flat angles P-C4'-P energy: -54.292
tors. eta vs tors. theta energy: -89.944
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: 2
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1057.143599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.143599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.143599 (E_RNA)
where:
Base-Base interactions energy: -715.578
where: short stacking energy: -287.560
Base-Backbone interact. energy: -2.925
local terms energy: -338.640533
where:
bonds (distance) C4'-P energy: -70.000
bonds (distance) P-C4' energy: -72.498
flat angles C4'-P-C4' energy: -73.975
flat angles P-C4'-P energy: -46.243
tors. eta vs tors. theta energy: -75.925
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: 3
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1016.045991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.045991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.045991 (E_RNA)
where:
Base-Base interactions energy: -714.196
where: short stacking energy: -285.178
Base-Backbone interact. energy: -1.579
local terms energy: -300.271703
where:
bonds (distance) C4'-P energy: -53.387
bonds (distance) P-C4' energy: -55.372
flat angles C4'-P-C4' energy: -73.935
flat angles P-C4'-P energy: -46.672
tors. eta vs tors. theta energy: -70.905
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: 4
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -822.510518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.510518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.510518 (E_RNA)
where:
Base-Base interactions energy: -515.508
where: short stacking energy: -234.922
Base-Backbone interact. energy: -0.464
local terms energy: -306.538677
where:
bonds (distance) C4'-P energy: -65.984
bonds (distance) P-C4' energy: -66.137
flat angles C4'-P-C4' energy: -66.174
flat angles P-C4'-P energy: -45.026
tors. eta vs tors. theta energy: -63.218
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: 9
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -640.941473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.941473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.941473 (E_RNA)
where:
Base-Base interactions energy: -371.189
where: short stacking energy: -184.466
Base-Backbone interact. energy: -0.944
local terms energy: -268.808344
where:
bonds (distance) C4'-P energy: -58.334
bonds (distance) P-C4' energy: -71.943
flat angles C4'-P-C4' energy: -58.651
flat angles P-C4'-P energy: -32.486
tors. eta vs tors. theta energy: -47.394
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: 8
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -560.741304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.741304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.741304 (E_RNA)
where:
Base-Base interactions energy: -338.726
where: short stacking energy: -162.696
Base-Backbone interact. energy: -0.735
local terms energy: -221.279768
where:
bonds (distance) C4'-P energy: -57.676
bonds (distance) P-C4' energy: -66.883
flat angles C4'-P-C4' energy: -52.920
flat angles P-C4'-P energy: -21.424
tors. eta vs tors. theta energy: -22.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -412.109150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.109150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.109150 (E_RNA)
where:
Base-Base interactions energy: -171.566
where: short stacking energy: -117.473
Base-Backbone interact. energy: -1.069
local terms energy: -239.473644
where:
bonds (distance) C4'-P energy: -53.975
bonds (distance) P-C4' energy: -78.496
flat angles C4'-P-C4' energy: -57.059
flat angles P-C4'-P energy: -41.418
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: 10, replica: 6
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -305.922290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.922290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.922290 (E_RNA)
where:
Base-Base interactions energy: -92.918
where: short stacking energy: -78.398
Base-Backbone interact. energy: -1.410
local terms energy: -211.594419
where:
bonds (distance) C4'-P energy: -63.879
bonds (distance) P-C4' energy: -66.487
flat angles C4'-P-C4' energy: -44.522
flat angles P-C4'-P energy: -37.602
tors. eta vs tors. theta energy: 0.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1240.281645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.281645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.281645 (E_RNA)
where:
Base-Base interactions energy: -828.512
where: short stacking energy: -345.501
Base-Backbone interact. energy: -0.851
local terms energy: -410.918104
where:
bonds (distance) C4'-P energy: -73.199
bonds (distance) P-C4' energy: -75.761
flat angles C4'-P-C4' energy: -85.075
flat angles P-C4'-P energy: -58.069
tors. eta vs tors. theta energy: -118.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1189.204638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.204638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.204638 (E_RNA)
where:
Base-Base interactions energy: -813.805
where: short stacking energy: -338.219
Base-Backbone interact. energy: -1.332
local terms energy: -374.068374
where:
bonds (distance) C4'-P energy: -70.553
bonds (distance) P-C4' energy: -65.902
flat angles C4'-P-C4' energy: -76.541
flat angles P-C4'-P energy: -58.985
tors. eta vs tors. theta energy: -102.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -1040.588218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.588218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.588218 (E_RNA)
where:
Base-Base interactions energy: -688.468
where: short stacking energy: -299.103
Base-Backbone interact. energy: -1.287
local terms energy: -350.833709
where:
bonds (distance) C4'-P energy: -73.055
bonds (distance) P-C4' energy: -70.601
flat angles C4'-P-C4' energy: -68.980
flat angles P-C4'-P energy: -50.239
tors. eta vs tors. theta energy: -87.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1062.950820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.950820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.950820 (E_RNA)
where:
Base-Base interactions energy: -728.838
where: short stacking energy: -300.570
Base-Backbone interact. energy: -0.059
local terms energy: -334.054293
where:
bonds (distance) C4'-P energy: -61.091
bonds (distance) P-C4' energy: -60.308
flat angles C4'-P-C4' energy: -79.731
flat angles P-C4'-P energy: -55.122
tors. eta vs tors. theta energy: -77.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1023.629414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.629414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.629414 (E_RNA)
where:
Base-Base interactions energy: -692.846
where: short stacking energy: -303.403
Base-Backbone interact. energy: 2.967
local terms energy: -333.750161
where:
bonds (distance) C4'-P energy: -75.003
bonds (distance) P-C4' energy: -59.911
flat angles C4'-P-C4' energy: -76.040
flat angles P-C4'-P energy: -46.651
tors. eta vs tors. theta energy: -76.146
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: 102
Temperature: 1.150000
Total energy: -796.729622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.729622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.729622 (E_RNA)
where:
Base-Base interactions energy: -518.033
where: short stacking energy: -248.703
Base-Backbone interact. energy: -1.693
local terms energy: -277.003973
where:
bonds (distance) C4'-P energy: -71.528
bonds (distance) P-C4' energy: -51.078
flat angles C4'-P-C4' energy: -54.930
flat angles P-C4'-P energy: -33.277
tors. eta vs tors. theta energy: -66.192
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: 8
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -616.323568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.323568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.323568 (E_RNA)
where:
Base-Base interactions energy: -358.174
where: short stacking energy: -168.502
Base-Backbone interact. energy: -0.839
local terms energy: -257.310619
where:
bonds (distance) C4'-P energy: -52.102
bonds (distance) P-C4' energy: -67.788
flat angles C4'-P-C4' energy: -71.635
flat angles P-C4'-P energy: -39.202
tors. eta vs tors. theta energy: -26.584
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: 8, replica: 9
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -626.884767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.884767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.884767 (E_RNA)
where:
Base-Base interactions energy: -370.134
where: short stacking energy: -177.568
Base-Backbone interact. energy: -0.166
local terms energy: -256.585362
where:
bonds (distance) C4'-P energy: -66.075
bonds (distance) P-C4' energy: -61.135
flat angles C4'-P-C4' energy: -62.475
flat angles P-C4'-P energy: -29.067
tors. eta vs tors. theta energy: -37.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -433.546890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.546890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.546890 (E_RNA)
where:
Base-Base interactions energy: -202.678
where: short stacking energy: -125.135
Base-Backbone interact. energy: 1.217
local terms energy: -232.086601
where:
bonds (distance) C4'-P energy: -54.293
bonds (distance) P-C4' energy: -70.467
flat angles C4'-P-C4' energy: -53.073
flat angles P-C4'-P energy: -38.984
tors. eta vs tors. theta energy: -15.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -311.112257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.112257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.112257 (E_RNA)
where:
Base-Base interactions energy: -112.687
where: short stacking energy: -91.940
Base-Backbone interact. energy: -1.163
local terms energy: -197.262658
where:
bonds (distance) C4'-P energy: -59.164
bonds (distance) P-C4' energy: -66.512
flat angles C4'-P-C4' energy: -57.699
flat angles P-C4'-P energy: -20.586
tors. eta vs tors. theta energy: 6.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1232.331346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.331346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.331346 (E_RNA)
where:
Base-Base interactions energy: -820.907
where: short stacking energy: -348.329
Base-Backbone interact. energy: -1.230
local terms energy: -410.194314
where:
bonds (distance) C4'-P energy: -76.176
bonds (distance) P-C4' energy: -83.223
flat angles C4'-P-C4' energy: -84.254
flat angles P-C4'-P energy: -58.755
tors. eta vs tors. theta energy: -107.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1187.877055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.877055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.877055 (E_RNA)
where:
Base-Base interactions energy: -816.913
where: short stacking energy: -345.258
Base-Backbone interact. energy: -1.520
local terms energy: -369.444397
where:
bonds (distance) C4'-P energy: -66.422
bonds (distance) P-C4' energy: -76.146
flat angles C4'-P-C4' energy: -78.804
flat angles P-C4'-P energy: -48.851
tors. eta vs tors. theta energy: -99.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1069.426041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.426041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.426041 (E_RNA)
where:
Base-Base interactions energy: -706.853
where: short stacking energy: -305.228
Base-Backbone interact. energy: -1.404
local terms energy: -361.169181
where:
bonds (distance) C4'-P energy: -75.239
bonds (distance) P-C4' energy: -71.426
flat angles C4'-P-C4' energy: -77.955
flat angles P-C4'-P energy: -45.917
tors. eta vs tors. theta energy: -90.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1056.163285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.163285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.163285 (E_RNA)
where:
Base-Base interactions energy: -717.704
where: short stacking energy: -305.347
Base-Backbone interact. energy: -0.928
local terms energy: -337.531305
where:
bonds (distance) C4'-P energy: -73.315
bonds (distance) P-C4' energy: -72.675
flat angles C4'-P-C4' energy: -61.176
flat angles P-C4'-P energy: -46.122
tors. eta vs tors. theta energy: -84.244
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: 3
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1000.406855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.406855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.406855 (E_RNA)
where:
Base-Base interactions energy: -678.442
where: short stacking energy: -289.284
Base-Backbone interact. energy: -1.292
local terms energy: -320.673006
where:
bonds (distance) C4'-P energy: -59.215
bonds (distance) P-C4' energy: -56.766
flat angles C4'-P-C4' energy: -74.271
flat angles P-C4'-P energy: -58.207
tors. eta vs tors. theta energy: -72.214
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: 4
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -797.092427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.092427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.092427 (E_RNA)
where:
Base-Base interactions energy: -514.280
where: short stacking energy: -223.451
Base-Backbone interact. energy: -1.443
local terms energy: -281.369467
where:
bonds (distance) C4'-P energy: -64.979
bonds (distance) P-C4' energy: -62.900
flat angles C4'-P-C4' energy: -68.050
flat angles P-C4'-P energy: -46.992
tors. eta vs tors. theta energy: -38.447
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: 103
Temperature: 1.200000
Total energy: -597.239851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.239851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.239851 (E_RNA)
where:
Base-Base interactions energy: -357.450
where: short stacking energy: -170.243
Base-Backbone interact. energy: -0.101
local terms energy: -239.689550
where:
bonds (distance) C4'-P energy: -44.834
bonds (distance) P-C4' energy: -70.101
flat angles C4'-P-C4' energy: -70.823
flat angles P-C4'-P energy: -30.014
tors. eta vs tors. theta energy: -23.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -585.170157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.170157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.170157 (E_RNA)
where:
Base-Base interactions energy: -329.269
where: short stacking energy: -171.757
Base-Backbone interact. energy: -0.142
local terms energy: -255.759901
where:
bonds (distance) C4'-P energy: -60.117
bonds (distance) P-C4' energy: -60.825
flat angles C4'-P-C4' energy: -62.677
flat angles P-C4'-P energy: -33.214
tors. eta vs tors. theta energy: -38.927
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: 9, replica: 10
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -385.698218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.698218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.698218 (E_RNA)
where:
Base-Base interactions energy: -182.830
where: short stacking energy: -114.368
Base-Backbone interact. energy: -0.713
local terms energy: -202.155398
where:
bonds (distance) C4'-P energy: -75.030
bonds (distance) P-C4' energy: -46.201
flat angles C4'-P-C4' energy: -53.522
flat angles P-C4'-P energy: -41.734
tors. eta vs tors. theta energy: 14.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -299.631527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.631527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.631527 (E_RNA)
where:
Base-Base interactions energy: -98.892
where: short stacking energy: -91.035
Base-Backbone interact. energy: -0.489
local terms energy: -200.249995
where:
bonds (distance) C4'-P energy: -60.709
bonds (distance) P-C4' energy: -58.784
flat angles C4'-P-C4' energy: -46.732
flat angles P-C4'-P energy: -41.870
tors. eta vs tors. theta energy: 7.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1226.826503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.826503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.826503 (E_RNA)
where:
Base-Base interactions energy: -825.784
where: short stacking energy: -365.820
Base-Backbone interact. energy: -1.265
local terms energy: -399.777155
where:
bonds (distance) C4'-P energy: -76.856
bonds (distance) P-C4' energy: -66.293
flat angles C4'-P-C4' energy: -85.241
flat angles P-C4'-P energy: -59.558
tors. eta vs tors. theta energy: -111.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1190.079373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.079373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.079373 (E_RNA)
where:
Base-Base interactions energy: -821.202
where: short stacking energy: -344.745
Base-Backbone interact. energy: -0.992
local terms energy: -367.885873
where:
bonds (distance) C4'-P energy: -71.254
bonds (distance) P-C4' energy: -64.340
flat angles C4'-P-C4' energy: -85.626
flat angles P-C4'-P energy: -50.485
tors. eta vs tors. theta energy: -96.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1089.045144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.045144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.045144 (E_RNA)
where:
Base-Base interactions energy: -758.470
where: short stacking energy: -310.020
Base-Backbone interact. energy: -2.540
local terms energy: -328.035713
where:
bonds (distance) C4'-P energy: -66.874
bonds (distance) P-C4' energy: -61.564
flat angles C4'-P-C4' energy: -71.766
flat angles P-C4'-P energy: -46.683
tors. eta vs tors. theta energy: -81.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1031.537175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.537175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.537175 (E_RNA)
where:
Base-Base interactions energy: -710.020
where: short stacking energy: -280.606
Base-Backbone interact. energy: 1.991
local terms energy: -323.508322
where:
bonds (distance) C4'-P energy: -70.666
bonds (distance) P-C4' energy: -62.770
flat angles C4'-P-C4' energy: -75.363
flat angles P-C4'-P energy: -41.796
tors. eta vs tors. theta energy: -72.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1005.297223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.297223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.297223 (E_RNA)
where:
Base-Base interactions energy: -675.944
where: short stacking energy: -288.122
Base-Backbone interact. energy: 0.140
local terms energy: -329.492600
where:
bonds (distance) C4'-P energy: -71.387
bonds (distance) P-C4' energy: -54.667
flat angles C4'-P-C4' energy: -71.575
flat angles P-C4'-P energy: -49.775
tors. eta vs tors. theta energy: -82.088
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: 4
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -820.713630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.713630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.713630 (E_RNA)
where:
Base-Base interactions energy: -524.904
where: short stacking energy: -244.783
Base-Backbone interact. energy: 2.598
local terms energy: -298.407618
where:
bonds (distance) C4'-P energy: -63.197
bonds (distance) P-C4' energy: -62.857
flat angles C4'-P-C4' energy: -66.616
flat angles P-C4'-P energy: -45.016
tors. eta vs tors. theta energy: -60.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -611.437112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.437112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.437112 (E_RNA)
where:
Base-Base interactions energy: -349.581
where: short stacking energy: -181.975
Base-Backbone interact. energy: -1.944
local terms energy: -259.912263
where:
bonds (distance) C4'-P energy: -56.992
bonds (distance) P-C4' energy: -54.099
flat angles C4'-P-C4' energy: -67.271
flat angles P-C4'-P energy: -41.480
tors. eta vs tors. theta energy: -40.070
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: 8
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -570.788851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.788851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.788851 (E_RNA)
where:
Base-Base interactions energy: -310.376
where: short stacking energy: -148.596
Base-Backbone interact. energy: -0.855
local terms energy: -259.557135
where:
bonds (distance) C4'-P energy: -66.148
bonds (distance) P-C4' energy: -73.791
flat angles C4'-P-C4' energy: -73.234
flat angles P-C4'-P energy: -32.404
tors. eta vs tors. theta energy: -13.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -401.048264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.048264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.048264 (E_RNA)
where:
Base-Base interactions energy: -175.217
where: short stacking energy: -100.399
Base-Backbone interact. energy: 7.311
local terms energy: -233.142184
where:
bonds (distance) C4'-P energy: -65.711
bonds (distance) P-C4' energy: -70.314
flat angles C4'-P-C4' energy: -59.191
flat angles P-C4'-P energy: -33.508
tors. eta vs tors. theta energy: -4.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -312.291737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.291737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.291737 (E_RNA)
where:
Base-Base interactions energy: -113.945
where: short stacking energy: -86.670
Base-Backbone interact. energy: 3.031
local terms energy: -201.377257
where:
bonds (distance) C4'-P energy: -60.478
bonds (distance) P-C4' energy: -69.404
flat angles C4'-P-C4' energy: -50.143
flat angles P-C4'-P energy: -33.427
tors. eta vs tors. theta energy: 12.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1228.482214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.482214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.482214 (E_RNA)
where:
Base-Base interactions energy: -822.583
where: short stacking energy: -365.987
Base-Backbone interact. energy: -0.944
local terms energy: -404.955954
where:
bonds (distance) C4'-P energy: -70.795
bonds (distance) P-C4' energy: -79.921
flat angles C4'-P-C4' energy: -83.562
flat angles P-C4'-P energy: -57.076
tors. eta vs tors. theta energy: -113.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1190.494201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.494201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.494201 (E_RNA)
where:
Base-Base interactions energy: -796.902
where: short stacking energy: -353.721
Base-Backbone interact. energy: -0.516
local terms energy: -393.076919
where:
bonds (distance) C4'-P energy: -74.463
bonds (distance) P-C4' energy: -68.301
flat angles C4'-P-C4' energy: -85.467
flat angles P-C4'-P energy: -61.174
tors. eta vs tors. theta energy: -103.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1079.474954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.474954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.474954 (E_RNA)
where:
Base-Base interactions energy: -724.587
where: short stacking energy: -307.478
Base-Backbone interact. energy: -1.349
local terms energy: -353.539685
where:
bonds (distance) C4'-P energy: -68.858
bonds (distance) P-C4' energy: -71.749
flat angles C4'-P-C4' energy: -74.281
flat angles P-C4'-P energy: -54.816
tors. eta vs tors. theta energy: -83.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1043.399561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.399561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.399561 (E_RNA)
where:
Base-Base interactions energy: -684.667
where: short stacking energy: -307.715
Base-Backbone interact. energy: 0.789
local terms energy: -359.522323
where:
bonds (distance) C4'-P energy: -71.627
bonds (distance) P-C4' energy: -73.813
flat angles C4'-P-C4' energy: -76.884
flat angles P-C4'-P energy: -48.997
tors. eta vs tors. theta energy: -88.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -980.124822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.124822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.124822 (E_RNA)
where:
Base-Base interactions energy: -636.448
where: short stacking energy: -271.104
Base-Backbone interact. energy: -0.923
local terms energy: -342.754241
where:
bonds (distance) C4'-P energy: -73.044
bonds (distance) P-C4' energy: -63.713
flat angles C4'-P-C4' energy: -75.490
flat angles P-C4'-P energy: -43.559
tors. eta vs tors. theta energy: -86.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -835.762226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.762226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.762226 (E_RNA)
where:
Base-Base interactions energy: -539.230
where: short stacking energy: -239.914
Base-Backbone interact. energy: -0.929
local terms energy: -295.603480
where:
bonds (distance) C4'-P energy: -56.199
bonds (distance) P-C4' energy: -69.538
flat angles C4'-P-C4' energy: -70.998
flat angles P-C4'-P energy: -39.596
tors. eta vs tors. theta energy: -59.273
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: 9
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -615.370844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.370844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.370844 (E_RNA)
where:
Base-Base interactions energy: -354.794
where: short stacking energy: -173.995
Base-Backbone interact. energy: 0.843
local terms energy: -261.420225
where:
bonds (distance) C4'-P energy: -61.560
bonds (distance) P-C4' energy: -65.195
flat angles C4'-P-C4' energy: -64.820
flat angles P-C4'-P energy: -32.901
tors. eta vs tors. theta energy: -36.944
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: 8
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -513.690898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.690898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.690898 (E_RNA)
where:
Base-Base interactions energy: -281.429
where: short stacking energy: -137.699
Base-Backbone interact. energy: 2.400
local terms energy: -234.661631
where:
bonds (distance) C4'-P energy: -56.265
bonds (distance) P-C4' energy: -57.699
flat angles C4'-P-C4' energy: -69.830
flat angles P-C4'-P energy: -28.375
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: 9, replica: 10
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -396.929152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.929152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.929152 (E_RNA)
where:
Base-Base interactions energy: -197.948
where: short stacking energy: -108.341
Base-Backbone interact. energy: -0.478
local terms energy: -198.503778
where:
bonds (distance) C4'-P energy: -52.485
bonds (distance) P-C4' energy: -63.786
flat angles C4'-P-C4' energy: -49.466
flat angles P-C4'-P energy: -35.342
tors. eta vs tors. theta energy: 2.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -311.277160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.277160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.277160 (E_RNA)
where:
Base-Base interactions energy: -118.089
where: short stacking energy: -81.624
Base-Backbone interact. energy: 2.243
local terms energy: -195.431387
where:
bonds (distance) C4'-P energy: -65.192
bonds (distance) P-C4' energy: -39.021
flat angles C4'-P-C4' energy: -64.540
flat angles P-C4'-P energy: -34.055
tors. eta vs tors. theta energy: 7.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1229.556440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.556440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.556440 (E_RNA)
where:
Base-Base interactions energy: -829.319
where: short stacking energy: -384.045
Base-Backbone interact. energy: -1.413
local terms energy: -398.824417
where:
bonds (distance) C4'-P energy: -68.056
bonds (distance) P-C4' energy: -70.818
flat angles C4'-P-C4' energy: -93.022
flat angles P-C4'-P energy: -50.640
tors. eta vs tors. theta energy: -116.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1185.585798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.585798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.585798 (E_RNA)
where:
Base-Base interactions energy: -800.815
where: short stacking energy: -334.105
Base-Backbone interact. energy: -2.810
local terms energy: -381.960868
where:
bonds (distance) C4'-P energy: -65.948
bonds (distance) P-C4' energy: -78.804
flat angles C4'-P-C4' energy: -78.879
flat angles P-C4'-P energy: -60.765
tors. eta vs tors. theta energy: -97.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1087.607115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.607115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.607115 (E_RNA)
where:
Base-Base interactions energy: -743.005
where: short stacking energy: -321.447
Base-Backbone interact. energy: 0.440
local terms energy: -345.042455
where:
bonds (distance) C4'-P energy: -62.963
bonds (distance) P-C4' energy: -69.133
flat angles C4'-P-C4' energy: -76.993
flat angles P-C4'-P energy: -49.935
tors. eta vs tors. theta energy: -86.018
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: 4, replica: 5
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -990.535723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.535723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.535723 (E_RNA)
where:
Base-Base interactions energy: -635.073
where: short stacking energy: -266.594
Base-Backbone interact. energy: -2.000
local terms energy: -353.462580
where:
bonds (distance) C4'-P energy: -76.835
bonds (distance) P-C4' energy: -72.378
flat angles C4'-P-C4' energy: -78.304
flat angles P-C4'-P energy: -45.058
tors. eta vs tors. theta energy: -80.887
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: 106
Temperature: 1.100000
Total energy: -969.945196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.945196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.945196 (E_RNA)
where:
Base-Base interactions energy: -640.997
where: short stacking energy: -268.053
Base-Backbone interact. energy: -0.633
local terms energy: -328.315367
where:
bonds (distance) C4'-P energy: -72.540
bonds (distance) P-C4' energy: -64.999
flat angles C4'-P-C4' energy: -80.931
flat angles P-C4'-P energy: -39.646
tors. eta vs tors. theta energy: -70.199
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: 4
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -856.861403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.861403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.861403 (E_RNA)
where:
Base-Base interactions energy: -544.855
where: short stacking energy: -243.909
Base-Backbone interact. energy: -1.873
local terms energy: -310.133216
where:
bonds (distance) C4'-P energy: -73.762
bonds (distance) P-C4' energy: -72.660
flat angles C4'-P-C4' energy: -68.433
flat angles P-C4'-P energy: -41.177
tors. eta vs tors. theta energy: -54.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -681.222608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.222608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.222608 (E_RNA)
where:
Base-Base interactions energy: -417.183
where: short stacking energy: -208.345
Base-Backbone interact. energy: -0.821
local terms energy: -263.218417
where:
bonds (distance) C4'-P energy: -61.888
bonds (distance) P-C4' energy: -67.526
flat angles C4'-P-C4' energy: -64.801
flat angles P-C4'-P energy: -32.674
tors. eta vs tors. theta energy: -36.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -470.659853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.659853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.659853 (E_RNA)
where:
Base-Base interactions energy: -224.298
where: short stacking energy: -127.740
Base-Backbone interact. energy: 1.593
local terms energy: -247.954431
where:
bonds (distance) C4'-P energy: -66.519
bonds (distance) P-C4' energy: -58.039
flat angles C4'-P-C4' energy: -71.729
flat angles P-C4'-P energy: -37.318
tors. eta vs tors. theta energy: -14.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -387.960964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.960964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.960964 (E_RNA)
where:
Base-Base interactions energy: -156.708
where: short stacking energy: -104.053
Base-Backbone interact. energy: -1.044
local terms energy: -230.208887
where:
bonds (distance) C4'-P energy: -72.775
bonds (distance) P-C4' energy: -65.925
flat angles C4'-P-C4' energy: -62.995
flat angles P-C4'-P energy: -30.587
tors. eta vs tors. theta energy: 2.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -289.412694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.412694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.412694 (E_RNA)
where:
Base-Base interactions energy: -94.156
where: short stacking energy: -69.588
Base-Backbone interact. energy: 2.211
local terms energy: -197.467878
where:
bonds (distance) C4'-P energy: -61.316
bonds (distance) P-C4' energy: -66.542
flat angles C4'-P-C4' energy: -44.633
flat angles P-C4'-P energy: -36.564
tors. eta vs tors. theta energy: 11.587
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: 1
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1220.028327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.028327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.028327 (E_RNA)
where:
Base-Base interactions energy: -819.486
where: short stacking energy: -360.381
Base-Backbone interact. energy: -1.853
local terms energy: -398.689468
where:
bonds (distance) C4'-P energy: -69.024
bonds (distance) P-C4' energy: -79.049
flat angles C4'-P-C4' energy: -89.520
flat angles P-C4'-P energy: -55.987
tors. eta vs tors. theta energy: -105.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1168.802379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.802379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.802379 (E_RNA)
where:
Base-Base interactions energy: -788.240
where: short stacking energy: -333.086
Base-Backbone interact. energy: -1.699
local terms energy: -378.862873
where:
bonds (distance) C4'-P energy: -68.083
bonds (distance) P-C4' energy: -68.320
flat angles C4'-P-C4' energy: -87.872
flat angles P-C4'-P energy: -63.235
tors. eta vs tors. theta energy: -91.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1126.634242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.634242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.634242 (E_RNA)
where:
Base-Base interactions energy: -762.534
where: short stacking energy: -327.480
Base-Backbone interact. energy: -1.558
local terms energy: -362.541731
where:
bonds (distance) C4'-P energy: -63.717
bonds (distance) P-C4' energy: -74.705
flat angles C4'-P-C4' energy: -72.599
flat angles P-C4'-P energy: -57.979
tors. eta vs tors. theta energy: -93.542
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: 5
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1015.539102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.539102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.539102 (E_RNA)
where:
Base-Base interactions energy: -672.170
where: short stacking energy: -298.443
Base-Backbone interact. energy: -1.399
local terms energy: -341.970147
where:
bonds (distance) C4'-P energy: -65.046
bonds (distance) P-C4' energy: -74.879
flat angles C4'-P-C4' energy: -70.860
flat angles P-C4'-P energy: -46.622
tors. eta vs tors. theta energy: -84.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -988.607248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.607248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.607248 (E_RNA)
where:
Base-Base interactions energy: -657.134
where: short stacking energy: -284.152
Base-Backbone interact. energy: -1.670
local terms energy: -329.803107
where:
bonds (distance) C4'-P energy: -56.894
bonds (distance) P-C4' energy: -66.457
flat angles C4'-P-C4' energy: -79.827
flat angles P-C4'-P energy: -59.990
tors. eta vs tors. theta energy: -66.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -846.995108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.995108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.995108 (E_RNA)
where:
Base-Base interactions energy: -555.067
where: short stacking energy: -238.327
Base-Backbone interact. energy: 0.669
local terms energy: -292.597014
where:
bonds (distance) C4'-P energy: -67.263
bonds (distance) P-C4' energy: -66.350
flat angles C4'-P-C4' energy: -61.380
flat angles P-C4'-P energy: -45.306
tors. eta vs tors. theta energy: -52.299
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: 9
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -722.467025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.467025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.467025 (E_RNA)
where:
Base-Base interactions energy: -472.230
where: short stacking energy: -210.699
Base-Backbone interact. energy: -0.626
local terms energy: -249.611536
where:
bonds (distance) C4'-P energy: -52.855
bonds (distance) P-C4' energy: -54.320
flat angles C4'-P-C4' energy: -60.133
flat angles P-C4'-P energy: -39.602
tors. eta vs tors. theta energy: -42.702
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: 8
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -494.502836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.502836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.502836 (E_RNA)
where:
Base-Base interactions energy: -253.907
where: short stacking energy: -141.805
Base-Backbone interact. energy: 0.038
local terms energy: -240.633882
where:
bonds (distance) C4'-P energy: -69.749
bonds (distance) P-C4' energy: -65.660
flat angles C4'-P-C4' energy: -65.816
flat angles P-C4'-P energy: -32.887
tors. eta vs tors. theta energy: -6.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -383.909572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.909572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.909572 (E_RNA)
where:
Base-Base interactions energy: -168.969
where: short stacking energy: -92.145
Base-Backbone interact. energy: -1.628
local terms energy: -213.312739
where:
bonds (distance) C4'-P energy: -57.326
bonds (distance) P-C4' energy: -71.873
flat angles C4'-P-C4' energy: -49.647
flat angles P-C4'-P energy: -30.509
tors. eta vs tors. theta energy: -3.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -306.097270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.097270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.097270 (E_RNA)
where:
Base-Base interactions energy: -118.987
where: short stacking energy: -82.749
Base-Backbone interact. energy: -2.079
local terms energy: -185.031221
where:
bonds (distance) C4'-P energy: -62.820
bonds (distance) P-C4' energy: -59.335
flat angles C4'-P-C4' energy: -42.229
flat angles P-C4'-P energy: -36.789
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: 1, replica: 1
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1248.823150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.823150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.823150 (E_RNA)
where:
Base-Base interactions energy: -829.264
where: short stacking energy: -370.187
Base-Backbone interact. energy: -1.691
local terms energy: -417.867301
where:
bonds (distance) C4'-P energy: -71.848
bonds (distance) P-C4' energy: -84.116
flat angles C4'-P-C4' energy: -82.157
flat angles P-C4'-P energy: -61.441
tors. eta vs tors. theta energy: -118.306
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: 7
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1177.708707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.708707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.708707 (E_RNA)
where:
Base-Base interactions energy: -816.683
where: short stacking energy: -327.684
Base-Backbone interact. energy: -0.511
local terms energy: -360.513791
where:
bonds (distance) C4'-P energy: -65.056
bonds (distance) P-C4' energy: -69.543
flat angles C4'-P-C4' energy: -77.130
flat angles P-C4'-P energy: -49.941
tors. eta vs tors. theta energy: -98.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1108.231854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.231854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.231854 (E_RNA)
where:
Base-Base interactions energy: -766.931
where: short stacking energy: -326.565
Base-Backbone interact. energy: 1.104
local terms energy: -342.405622
where:
bonds (distance) C4'-P energy: -62.673
bonds (distance) P-C4' energy: -64.676
flat angles C4'-P-C4' energy: -69.437
flat angles P-C4'-P energy: -56.978
tors. eta vs tors. theta energy: -88.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1033.342494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.342494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.342494 (E_RNA)
where:
Base-Base interactions energy: -705.603
where: short stacking energy: -318.887
Base-Backbone interact. energy: -2.176
local terms energy: -325.562863
where:
bonds (distance) C4'-P energy: -65.294
bonds (distance) P-C4' energy: -59.643
flat angles C4'-P-C4' energy: -68.029
flat angles P-C4'-P energy: -45.197
tors. eta vs tors. theta energy: -87.400
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: 3
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1000.072272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.072272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.072272 (E_RNA)
where:
Base-Base interactions energy: -665.347
where: short stacking energy: -293.990
Base-Backbone interact. energy: -1.588
local terms energy: -333.136779
where:
bonds (distance) C4'-P energy: -62.605
bonds (distance) P-C4' energy: -62.640
flat angles C4'-P-C4' energy: -81.584
flat angles P-C4'-P energy: -41.139
tors. eta vs tors. theta energy: -85.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -837.446840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.446840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.446840 (E_RNA)
where:
Base-Base interactions energy: -529.388
where: short stacking energy: -232.968
Base-Backbone interact. energy: -0.143
local terms energy: -307.916040
where:
bonds (distance) C4'-P energy: -76.236
bonds (distance) P-C4' energy: -72.021
flat angles C4'-P-C4' energy: -64.727
flat angles P-C4'-P energy: -36.720
tors. eta vs tors. theta energy: -58.211
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: 9
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -819.181560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.181560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.181560 (E_RNA)
where:
Base-Base interactions energy: -548.639
where: short stacking energy: -242.765
Base-Backbone interact. energy: -2.768
local terms energy: -267.773953
where:
bonds (distance) C4'-P energy: -67.188
bonds (distance) P-C4' energy: -51.792
flat angles C4'-P-C4' energy: -67.798
flat angles P-C4'-P energy: -33.733
tors. eta vs tors. theta energy: -47.262
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: 8
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -521.295907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.295907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.295907 (E_RNA)
where:
Base-Base interactions energy: -276.388
where: short stacking energy: -164.852
Base-Backbone interact. energy: -0.733
local terms energy: -244.174445
where:
bonds (distance) C4'-P energy: -60.919
bonds (distance) P-C4' energy: -66.451
flat angles C4'-P-C4' energy: -58.068
flat angles P-C4'-P energy: -37.908
tors. eta vs tors. theta energy: -20.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -325.404692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.404692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.404692 (E_RNA)
where:
Base-Base interactions energy: -123.814
where: short stacking energy: -85.115
Base-Backbone interact. energy: 1.150
local terms energy: -202.740976
where:
bonds (distance) C4'-P energy: -58.516
bonds (distance) P-C4' energy: -65.632
flat angles C4'-P-C4' energy: -45.853
flat angles P-C4'-P energy: -32.368
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: 10, replica: 10
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -364.437745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.437745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.437745 (E_RNA)
where:
Base-Base interactions energy: -173.214
where: short stacking energy: -113.945
Base-Backbone interact. energy: -0.424
local terms energy: -190.799580
where:
bonds (distance) C4'-P energy: -59.974
bonds (distance) P-C4' energy: -69.064
flat angles C4'-P-C4' energy: -55.201
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: 7.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1243.899477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.899477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.899477 (E_RNA)
where:
Base-Base interactions energy: -847.382
where: short stacking energy: -387.966
Base-Backbone interact. energy: -2.606
local terms energy: -393.912275
where:
bonds (distance) C4'-P energy: -69.489
bonds (distance) P-C4' energy: -67.677
flat angles C4'-P-C4' energy: -84.225
flat angles P-C4'-P energy: -54.487
tors. eta vs tors. theta energy: -118.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1187.140363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.140363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.140363 (E_RNA)
where:
Base-Base interactions energy: -810.939
where: short stacking energy: -374.921
Base-Backbone interact. energy: 0.258
local terms energy: -376.460017
where:
bonds (distance) C4'-P energy: -70.651
bonds (distance) P-C4' energy: -70.185
flat angles C4'-P-C4' energy: -78.248
flat angles P-C4'-P energy: -56.783
tors. eta vs tors. theta energy: -100.593
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: 2
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1102.996461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.996461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.996461 (E_RNA)
where:
Base-Base interactions energy: -766.648
where: short stacking energy: -333.315
Base-Backbone interact. energy: -0.539
local terms energy: -335.809861
where:
bonds (distance) C4'-P energy: -72.518
bonds (distance) P-C4' energy: -52.374
flat angles C4'-P-C4' energy: -70.740
flat angles P-C4'-P energy: -58.495
tors. eta vs tors. theta energy: -81.682
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: 3
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1008.808721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.808721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.808721 (E_RNA)
where:
Base-Base interactions energy: -693.665
where: short stacking energy: -300.049
Base-Backbone interact. energy: -0.799
local terms energy: -314.344529
where:
bonds (distance) C4'-P energy: -57.531
bonds (distance) P-C4' energy: -60.817
flat angles C4'-P-C4' energy: -76.571
flat angles P-C4'-P energy: -41.763
tors. eta vs tors. theta energy: -77.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -993.226757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.226757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.226757 (E_RNA)
where:
Base-Base interactions energy: -667.844
where: short stacking energy: -289.840
Base-Backbone interact. energy: -1.417
local terms energy: -323.966339
where:
bonds (distance) C4'-P energy: -56.833
bonds (distance) P-C4' energy: -69.342
flat angles C4'-P-C4' energy: -70.571
flat angles P-C4'-P energy: -37.577
tors. eta vs tors. theta energy: -89.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -858.774817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.774817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.774817 (E_RNA)
where:
Base-Base interactions energy: -568.664
where: short stacking energy: -219.196
Base-Backbone interact. energy: 0.946
local terms energy: -291.057448
where:
bonds (distance) C4'-P energy: -55.098
bonds (distance) P-C4' energy: -75.944
flat angles C4'-P-C4' energy: -62.298
flat angles P-C4'-P energy: -49.283
tors. eta vs tors. theta energy: -48.435
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: 7, replica: 4
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -758.969286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.969286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.969286 (E_RNA)
where:
Base-Base interactions energy: -460.964
where: short stacking energy: -204.414
Base-Backbone interact. energy: 0.627
local terms energy: -298.632538
where:
bonds (distance) C4'-P energy: -54.845
bonds (distance) P-C4' energy: -64.781
flat angles C4'-P-C4' energy: -77.683
flat angles P-C4'-P energy: -48.489
tors. eta vs tors. theta energy: -52.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -485.727290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.727290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.727290 (E_RNA)
where:
Base-Base interactions energy: -255.159
where: short stacking energy: -123.287
Base-Backbone interact. energy: -4.392
local terms energy: -226.176839
where:
bonds (distance) C4'-P energy: -69.931
bonds (distance) P-C4' energy: -71.003
flat angles C4'-P-C4' energy: -47.807
flat angles P-C4'-P energy: -37.331
tors. eta vs tors. theta energy: -0.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -322.523872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.523872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.523872 (E_RNA)
where:
Base-Base interactions energy: -113.238
where: short stacking energy: -79.821
Base-Backbone interact. energy: 4.622
local terms energy: -213.908201
where:
bonds (distance) C4'-P energy: -73.251
bonds (distance) P-C4' energy: -60.454
flat angles C4'-P-C4' energy: -55.475
flat angles P-C4'-P energy: -43.585
tors. eta vs tors. theta energy: 18.856
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: 10
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -378.260651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.260651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.260651 (E_RNA)
where:
Base-Base interactions energy: -159.147
where: short stacking energy: -89.164
Base-Backbone interact. energy: -0.356
local terms energy: -218.757794
where:
bonds (distance) C4'-P energy: -71.970
bonds (distance) P-C4' energy: -48.801
flat angles C4'-P-C4' energy: -63.185
flat angles P-C4'-P energy: -36.868
tors. eta vs tors. theta energy: 2.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1221.632088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.632088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.632088 (E_RNA)
where:
Base-Base interactions energy: -819.543
where: short stacking energy: -368.115
Base-Backbone interact. energy: -2.570
local terms energy: -399.519104
where:
bonds (distance) C4'-P energy: -69.008
bonds (distance) P-C4' energy: -66.466
flat angles C4'-P-C4' energy: -84.288
flat angles P-C4'-P energy: -63.466
tors. eta vs tors. theta energy: -116.292
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: 7
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1185.813047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.813047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.813047 (E_RNA)
where:
Base-Base interactions energy: -807.744
where: short stacking energy: -354.621
Base-Backbone interact. energy: 3.877
local terms energy: -381.945959
where:
bonds (distance) C4'-P energy: -69.074
bonds (distance) P-C4' energy: -73.375
flat angles C4'-P-C4' energy: -86.829
flat angles P-C4'-P energy: -46.430
tors. eta vs tors. theta energy: -106.238
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: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1065.547109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.547109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.547109 (E_RNA)
where:
Base-Base interactions energy: -707.434
where: short stacking energy: -310.048
Base-Backbone interact. energy: -2.510
local terms energy: -355.603404
where:
bonds (distance) C4'-P energy: -70.168
bonds (distance) P-C4' energy: -67.032
flat angles C4'-P-C4' energy: -75.666
flat angles P-C4'-P energy: -60.966
tors. eta vs tors. theta energy: -81.772
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: 110
Temperature: 1.050000
Total energy: -1046.852479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.852479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.852479 (E_RNA)
where:
Base-Base interactions energy: -708.717
where: short stacking energy: -290.916
Base-Backbone interact. energy: -1.918
local terms energy: -336.218240
where:
bonds (distance) C4'-P energy: -71.851
bonds (distance) P-C4' energy: -66.462
flat angles C4'-P-C4' energy: -62.240
flat angles P-C4'-P energy: -59.342
tors. eta vs tors. theta energy: -76.323
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: 5, replica: 5
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -984.112415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.112415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.112415 (E_RNA)
where:
Base-Base interactions energy: -640.153
where: short stacking energy: -291.262
Base-Backbone interact. energy: -1.793
local terms energy: -342.166272
where:
bonds (distance) C4'-P energy: -58.603
bonds (distance) P-C4' energy: -84.684
flat angles C4'-P-C4' energy: -68.748
flat angles P-C4'-P energy: -45.416
tors. eta vs tors. theta energy: -84.715
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: 9
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -900.589908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.589908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.589908 (E_RNA)
where:
Base-Base interactions energy: -598.091
where: short stacking energy: -242.484
Base-Backbone interact. energy: -1.354
local terms energy: -301.144568
where:
bonds (distance) C4'-P energy: -57.120
bonds (distance) P-C4' energy: -69.170
flat angles C4'-P-C4' energy: -63.533
flat angles P-C4'-P energy: -43.762
tors. eta vs tors. theta energy: -67.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -749.122809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.122809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.122809 (E_RNA)
where:
Base-Base interactions energy: -476.938
where: short stacking energy: -223.591
Base-Backbone interact. energy: -1.875
local terms energy: -270.310351
where:
bonds (distance) C4'-P energy: -61.667
bonds (distance) P-C4' energy: -65.290
flat angles C4'-P-C4' energy: -61.697
flat angles P-C4'-P energy: -36.883
tors. eta vs tors. theta energy: -44.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -496.409797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.409797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.409797 (E_RNA)
where:
Base-Base interactions energy: -269.360
where: short stacking energy: -139.737
Base-Backbone interact. energy: -0.632
local terms energy: -226.418463
where:
bonds (distance) C4'-P energy: -67.403
bonds (distance) P-C4' energy: -57.048
flat angles C4'-P-C4' energy: -59.295
flat angles P-C4'-P energy: -44.528
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: 9, replica: 10
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -403.147763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.147763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.147763 (E_RNA)
where:
Base-Base interactions energy: -184.705
where: short stacking energy: -120.603
Base-Backbone interact. energy: 4.732
local terms energy: -223.174890
where:
bonds (distance) C4'-P energy: -58.836
bonds (distance) P-C4' energy: -59.208
flat angles C4'-P-C4' energy: -59.940
flat angles P-C4'-P energy: -38.082
tors. eta vs tors. theta energy: -7.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -314.585690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.585690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.585690 (E_RNA)
where:
Base-Base interactions energy: -92.984
where: short stacking energy: -79.218
Base-Backbone interact. energy: -1.126
local terms energy: -220.475702
where:
bonds (distance) C4'-P energy: -60.548
bonds (distance) P-C4' energy: -72.658
flat angles C4'-P-C4' energy: -54.950
flat angles P-C4'-P energy: -42.097
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: 1, replica: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1215.667343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.667343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.667343 (E_RNA)
where:
Base-Base interactions energy: -827.546
where: short stacking energy: -378.654
Base-Backbone interact. energy: -1.433
local terms energy: -386.688244
where:
bonds (distance) C4'-P energy: -64.480
bonds (distance) P-C4' energy: -70.786
flat angles C4'-P-C4' energy: -82.837
flat angles P-C4'-P energy: -55.066
tors. eta vs tors. theta energy: -113.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1190.155119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.155119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.155119 (E_RNA)
where:
Base-Base interactions energy: -812.442
where: short stacking energy: -360.441
Base-Backbone interact. energy: -2.007
local terms energy: -375.706204
where:
bonds (distance) C4'-P energy: -72.015
bonds (distance) P-C4' energy: -72.919
flat angles C4'-P-C4' energy: -78.397
flat angles P-C4'-P energy: -57.015
tors. eta vs tors. theta energy: -95.360
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: 3
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1095.555067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.555067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.555067 (E_RNA)
where:
Base-Base interactions energy: -722.308
where: short stacking energy: -325.876
Base-Backbone interact. energy: -0.559
local terms energy: -372.688234
where:
bonds (distance) C4'-P energy: -64.436
bonds (distance) P-C4' energy: -70.039
flat angles C4'-P-C4' energy: -83.485
flat angles P-C4'-P energy: -51.736
tors. eta vs tors. theta energy: -102.992
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: 4, replica: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1063.961935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.961935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.961935 (E_RNA)
where:
Base-Base interactions energy: -736.319
where: short stacking energy: -329.942
Base-Backbone interact. energy: -0.611
local terms energy: -327.031890
where:
bonds (distance) C4'-P energy: -61.563
bonds (distance) P-C4' energy: -61.961
flat angles C4'-P-C4' energy: -74.440
flat angles P-C4'-P energy: -48.845
tors. eta vs tors. theta energy: -80.223
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: 5
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -955.425886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.425886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.425886 (E_RNA)
where:
Base-Base interactions energy: -626.424
where: short stacking energy: -267.822
Base-Backbone interact. energy: -0.469
local terms energy: -328.533141
where:
bonds (distance) C4'-P energy: -64.716
bonds (distance) P-C4' energy: -72.399
flat angles C4'-P-C4' energy: -60.236
flat angles P-C4'-P energy: -47.573
tors. eta vs tors. theta energy: -83.610
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: 6, replica: 9
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -899.584880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.584880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.584880 (E_RNA)
where:
Base-Base interactions energy: -585.902
where: short stacking energy: -259.516
Base-Backbone interact. energy: -3.330
local terms energy: -310.353230
where:
bonds (distance) C4'-P energy: -66.496
bonds (distance) P-C4' energy: -75.741
flat angles C4'-P-C4' energy: -62.066
flat angles P-C4'-P energy: -51.817
tors. eta vs tors. theta energy: -54.232
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: 4
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -735.189176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.189176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.189176 (E_RNA)
where:
Base-Base interactions energy: -470.714
where: short stacking energy: -214.263
Base-Backbone interact. energy: 0.239
local terms energy: -264.714684
where:
bonds (distance) C4'-P energy: -53.574
bonds (distance) P-C4' energy: -48.729
flat angles C4'-P-C4' energy: -70.576
flat angles P-C4'-P energy: -45.506
tors. eta vs tors. theta energy: -46.331
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: 8
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -463.342238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.342238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.342238 (E_RNA)
where:
Base-Base interactions energy: -234.951
where: short stacking energy: -137.484
Base-Backbone interact. energy: 0.713
local terms energy: -229.104139
where:
bonds (distance) C4'-P energy: -66.140
bonds (distance) P-C4' energy: -51.305
flat angles C4'-P-C4' energy: -60.736
flat angles P-C4'-P energy: -38.619
tors. eta vs tors. theta energy: -12.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -404.792095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.792095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.792095 (E_RNA)
where:
Base-Base interactions energy: -198.132
where: short stacking energy: -130.192
Base-Backbone interact. energy: 2.008
local terms energy: -208.668595
where:
bonds (distance) C4'-P energy: -53.387
bonds (distance) P-C4' energy: -83.301
flat angles C4'-P-C4' energy: -39.436
flat angles P-C4'-P energy: -25.400
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: 10, replica: 6
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -286.809067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.809067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.809067 (E_RNA)
where:
Base-Base interactions energy: -107.221
where: short stacking energy: -78.511
Base-Backbone interact. energy: -2.019
local terms energy: -177.569429
where:
bonds (distance) C4'-P energy: -61.387
bonds (distance) P-C4' energy: -62.129
flat angles C4'-P-C4' energy: -43.392
flat angles P-C4'-P energy: -29.650
tors. eta vs tors. theta energy: 18.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1227.198870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.198870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.198870 (E_RNA)
where:
Base-Base interactions energy: -807.341
where: short stacking energy: -359.994
Base-Backbone interact. energy: -1.661
local terms energy: -418.197287
where:
bonds (distance) C4'-P energy: -71.573
bonds (distance) P-C4' energy: -80.761
flat angles C4'-P-C4' energy: -90.354
flat angles P-C4'-P energy: -62.529
tors. eta vs tors. theta energy: -112.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1193.863362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.863362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.863362 (E_RNA)
where:
Base-Base interactions energy: -816.726
where: short stacking energy: -337.512
Base-Backbone interact. energy: -3.055
local terms energy: -374.082030
where:
bonds (distance) C4'-P energy: -70.031
bonds (distance) P-C4' energy: -79.826
flat angles C4'-P-C4' energy: -80.972
flat angles P-C4'-P energy: -53.413
tors. eta vs tors. theta energy: -89.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1096.938187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.938187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.938187 (E_RNA)
where:
Base-Base interactions energy: -735.086
where: short stacking energy: -310.881
Base-Backbone interact. energy: 0.767
local terms energy: -362.618774
where:
bonds (distance) C4'-P energy: -68.139
bonds (distance) P-C4' energy: -74.831
flat angles C4'-P-C4' energy: -80.150
flat angles P-C4'-P energy: -54.029
tors. eta vs tors. theta energy: -85.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1057.395457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.395457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.395457 (E_RNA)
where:
Base-Base interactions energy: -705.772
where: short stacking energy: -305.528
Base-Backbone interact. energy: -0.578
local terms energy: -351.045624
where:
bonds (distance) C4'-P energy: -60.298
bonds (distance) P-C4' energy: -77.148
flat angles C4'-P-C4' energy: -79.989
flat angles P-C4'-P energy: -53.024
tors. eta vs tors. theta energy: -80.587
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: 5
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -983.127546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.127546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.127546 (E_RNA)
where:
Base-Base interactions energy: -644.695
where: short stacking energy: -289.091
Base-Backbone interact. energy: 0.588
local terms energy: -339.020325
where:
bonds (distance) C4'-P energy: -57.587
bonds (distance) P-C4' energy: -72.808
flat angles C4'-P-C4' energy: -75.258
flat angles P-C4'-P energy: -50.780
tors. eta vs tors. theta energy: -82.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -891.571781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.571781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.571781 (E_RNA)
where:
Base-Base interactions energy: -568.715
where: short stacking energy: -248.244
Base-Backbone interact. energy: -2.927
local terms energy: -319.930194
where:
bonds (distance) C4'-P energy: -66.369
bonds (distance) P-C4' energy: -71.898
flat angles C4'-P-C4' energy: -71.014
flat angles P-C4'-P energy: -47.597
tors. eta vs tors. theta energy: -63.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -728.705850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.705850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.705850 (E_RNA)
where:
Base-Base interactions energy: -438.271
where: short stacking energy: -215.831
Base-Backbone interact. energy: -1.912
local terms energy: -288.523026
where:
bonds (distance) C4'-P energy: -59.925
bonds (distance) P-C4' energy: -74.047
flat angles C4'-P-C4' energy: -66.221
flat angles P-C4'-P energy: -36.170
tors. eta vs tors. theta energy: -52.161
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: 8
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -535.879360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.879360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.879360 (E_RNA)
where:
Base-Base interactions energy: -284.347
where: short stacking energy: -147.127
Base-Backbone interact. energy: -1.839
local terms energy: -249.692663
where:
bonds (distance) C4'-P energy: -52.891
bonds (distance) P-C4' energy: -74.093
flat angles C4'-P-C4' energy: -61.218
flat angles P-C4'-P energy: -30.531
tors. eta vs tors. theta energy: -30.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -377.551106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.551106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.551106 (E_RNA)
where:
Base-Base interactions energy: -164.199
where: short stacking energy: -115.787
Base-Backbone interact. energy: 0.042
local terms energy: -213.394495
where:
bonds (distance) C4'-P energy: -59.153
bonds (distance) P-C4' energy: -62.187
flat angles C4'-P-C4' energy: -62.061
flat angles P-C4'-P energy: -24.474
tors. eta vs tors. theta energy: -5.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -307.913060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.913060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.913060 (E_RNA)
where:
Base-Base interactions energy: -119.227
where: short stacking energy: -97.529
Base-Backbone interact. energy: 4.311
local terms energy: -192.996935
where:
bonds (distance) C4'-P energy: -60.553
bonds (distance) P-C4' energy: -68.371
flat angles C4'-P-C4' energy: -47.947
flat angles P-C4'-P energy: -19.743
tors. eta vs tors. theta energy: 3.617
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: 1
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1235.492506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.492506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.492506 (E_RNA)
where:
Base-Base interactions energy: -835.225
where: short stacking energy: -374.404
Base-Backbone interact. energy: 0.241
local terms energy: -400.508541
where:
bonds (distance) C4'-P energy: -73.632
bonds (distance) P-C4' energy: -80.834
flat angles C4'-P-C4' energy: -86.435
flat angles P-C4'-P energy: -43.130
tors. eta vs tors. theta energy: -116.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1170.196791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.196791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.196791 (E_RNA)
where:
Base-Base interactions energy: -814.160
where: short stacking energy: -333.954
Base-Backbone interact. energy: -1.043
local terms energy: -354.994335
where:
bonds (distance) C4'-P energy: -63.208
bonds (distance) P-C4' energy: -79.402
flat angles C4'-P-C4' energy: -71.504
flat angles P-C4'-P energy: -49.447
tors. eta vs tors. theta energy: -91.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1064.327273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.327273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.327273 (E_RNA)
where:
Base-Base interactions energy: -708.441
where: short stacking energy: -322.437
Base-Backbone interact. energy: -0.364
local terms energy: -355.522033
where:
bonds (distance) C4'-P energy: -69.184
bonds (distance) P-C4' energy: -70.903
flat angles C4'-P-C4' energy: -81.213
flat angles P-C4'-P energy: -47.428
tors. eta vs tors. theta energy: -86.795
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: 2
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1050.084149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.084149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.084149 (E_RNA)
where:
Base-Base interactions energy: -710.828
where: short stacking energy: -295.596
Base-Backbone interact. energy: -2.991
local terms energy: -336.264868
where:
bonds (distance) C4'-P energy: -65.738
bonds (distance) P-C4' energy: -67.063
flat angles C4'-P-C4' energy: -72.327
flat angles P-C4'-P energy: -49.442
tors. eta vs tors. theta energy: -81.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -958.083255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.083255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.083255 (E_RNA)
where:
Base-Base interactions energy: -653.896
where: short stacking energy: -280.511
Base-Backbone interact. energy: -1.715
local terms energy: -302.472562
where:
bonds (distance) C4'-P energy: -51.784
bonds (distance) P-C4' energy: -70.992
flat angles C4'-P-C4' energy: -75.880
flat angles P-C4'-P energy: -36.552
tors. eta vs tors. theta energy: -67.265
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: 9
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -880.747814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.747814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.747814 (E_RNA)
where:
Base-Base interactions energy: -575.904
where: short stacking energy: -244.919
Base-Backbone interact. energy: -1.583
local terms energy: -303.261231
where:
bonds (distance) C4'-P energy: -66.317
bonds (distance) P-C4' energy: -70.142
flat angles C4'-P-C4' energy: -66.297
flat angles P-C4'-P energy: -39.633
tors. eta vs tors. theta energy: -60.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -786.080943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.080943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.080943 (E_RNA)
where:
Base-Base interactions energy: -490.779
where: short stacking energy: -215.556
Base-Backbone interact. energy: -1.425
local terms energy: -293.877711
where:
bonds (distance) C4'-P energy: -63.154
bonds (distance) P-C4' energy: -73.195
flat angles C4'-P-C4' energy: -57.452
flat angles P-C4'-P energy: -47.104
tors. eta vs tors. theta energy: -52.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -501.137603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.137603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.137603 (E_RNA)
where:
Base-Base interactions energy: -267.547
where: short stacking energy: -145.464
Base-Backbone interact. energy: -1.336
local terms energy: -232.253936
where:
bonds (distance) C4'-P energy: -65.817
bonds (distance) P-C4' energy: -67.053
flat angles C4'-P-C4' energy: -62.154
flat angles P-C4'-P energy: -22.825
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: 9, replica: 10
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -394.809321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.809321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.809321 (E_RNA)
where:
Base-Base interactions energy: -182.299
where: short stacking energy: -114.940
Base-Backbone interact. energy: 0.142
local terms energy: -212.652232
where:
bonds (distance) C4'-P energy: -59.102
bonds (distance) P-C4' energy: -65.013
flat angles C4'-P-C4' energy: -49.558
flat angles P-C4'-P energy: -33.867
tors. eta vs tors. theta energy: -5.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -302.833701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.833701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.833701 (E_RNA)
where:
Base-Base interactions energy: -107.304
where: short stacking energy: -88.764
Base-Backbone interact. energy: 4.816
local terms energy: -200.345349
where:
bonds (distance) C4'-P energy: -58.366
bonds (distance) P-C4' energy: -71.465
flat angles C4'-P-C4' energy: -47.436
flat angles P-C4'-P energy: -28.923
tors. eta vs tors. theta energy: 5.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1235.427170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.427170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.427170 (E_RNA)
where:
Base-Base interactions energy: -812.500
where: short stacking energy: -376.034
Base-Backbone interact. energy: -2.378
local terms energy: -420.548879
where:
bonds (distance) C4'-P energy: -75.132
bonds (distance) P-C4' energy: -77.455
flat angles C4'-P-C4' energy: -86.977
flat angles P-C4'-P energy: -60.935
tors. eta vs tors. theta energy: -120.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1193.739441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.739441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.739441 (E_RNA)
where:
Base-Base interactions energy: -835.119
where: short stacking energy: -338.579
Base-Backbone interact. energy: 1.951
local terms energy: -360.570932
where:
bonds (distance) C4'-P energy: -56.329
bonds (distance) P-C4' energy: -77.906
flat angles C4'-P-C4' energy: -84.837
flat angles P-C4'-P energy: -48.947
tors. eta vs tors. theta energy: -92.553
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: 3
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1051.723244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.723244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.723244 (E_RNA)
where:
Base-Base interactions energy: -692.807
where: short stacking energy: -314.655
Base-Backbone interact. energy: -2.158
local terms energy: -356.758868
where:
bonds (distance) C4'-P energy: -63.507
bonds (distance) P-C4' energy: -72.028
flat angles C4'-P-C4' energy: -76.843
flat angles P-C4'-P energy: -54.475
tors. eta vs tors. theta energy: -89.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -1059.792797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.792797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.792797 (E_RNA)
where:
Base-Base interactions energy: -715.778
where: short stacking energy: -285.200
Base-Backbone interact. energy: 1.228
local terms energy: -345.242660
where:
bonds (distance) C4'-P energy: -76.711
bonds (distance) P-C4' energy: -64.567
flat angles C4'-P-C4' energy: -78.270
flat angles P-C4'-P energy: -43.312
tors. eta vs tors. theta energy: -82.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -965.959260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.959260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.959260 (E_RNA)
where:
Base-Base interactions energy: -658.399
where: short stacking energy: -277.158
Base-Backbone interact. energy: -1.146
local terms energy: -306.414360
where:
bonds (distance) C4'-P energy: -60.594
bonds (distance) P-C4' energy: -75.945
flat angles C4'-P-C4' energy: -66.924
flat angles P-C4'-P energy: -34.665
tors. eta vs tors. theta energy: -68.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -947.711995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.711995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.711995 (E_RNA)
where:
Base-Base interactions energy: -633.069
where: short stacking energy: -259.891
Base-Backbone interact. energy: -2.770
local terms energy: -311.872413
where:
bonds (distance) C4'-P energy: -64.517
bonds (distance) P-C4' energy: -58.614
flat angles C4'-P-C4' energy: -70.881
flat angles P-C4'-P energy: -47.545
tors. eta vs tors. theta energy: -70.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -805.743438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.743438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.743438 (E_RNA)
where:
Base-Base interactions energy: -513.341
where: short stacking energy: -208.419
Base-Backbone interact. energy: -1.604
local terms energy: -290.798267
where:
bonds (distance) C4'-P energy: -64.159
bonds (distance) P-C4' energy: -77.653
flat angles C4'-P-C4' energy: -68.846
flat angles P-C4'-P energy: -44.298
tors. eta vs tors. theta energy: -35.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -498.935405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.935405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.935405 (E_RNA)
where:
Base-Base interactions energy: -250.668
where: short stacking energy: -134.631
Base-Backbone interact. energy: -1.747
local terms energy: -246.520498
where:
bonds (distance) C4'-P energy: -57.156
bonds (distance) P-C4' energy: -77.062
flat angles C4'-P-C4' energy: -58.892
flat angles P-C4'-P energy: -37.583
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: 9, replica: 10
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -352.599776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.599776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.599776 (E_RNA)
where:
Base-Base interactions energy: -169.616
where: short stacking energy: -97.452
Base-Backbone interact. energy: -1.179
local terms energy: -181.804545
where:
bonds (distance) C4'-P energy: -57.911
bonds (distance) P-C4' energy: -57.644
flat angles C4'-P-C4' energy: -48.137
flat angles P-C4'-P energy: -29.929
tors. eta vs tors. theta energy: 11.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -308.227051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.227051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.227051 (E_RNA)
where:
Base-Base interactions energy: -116.521
where: short stacking energy: -102.841
Base-Backbone interact. energy: -0.186
local terms energy: -191.519678
where:
bonds (distance) C4'-P energy: -48.627
bonds (distance) P-C4' energy: -56.081
flat angles C4'-P-C4' energy: -48.875
flat angles P-C4'-P energy: -39.790
tors. eta vs tors. theta energy: 1.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1229.704085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.704085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.704085 (E_RNA)
where:
Base-Base interactions energy: -831.078
where: short stacking energy: -368.873
Base-Backbone interact. energy: -1.897
local terms energy: -396.729058
where:
bonds (distance) C4'-P energy: -69.979
bonds (distance) P-C4' energy: -67.793
flat angles C4'-P-C4' energy: -89.087
flat angles P-C4'-P energy: -55.578
tors. eta vs tors. theta energy: -114.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1197.376390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.376390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.376390 (E_RNA)
where:
Base-Base interactions energy: -840.824
where: short stacking energy: -327.571
Base-Backbone interact. energy: -3.936
local terms energy: -352.616223
where:
bonds (distance) C4'-P energy: -64.714
bonds (distance) P-C4' energy: -72.494
flat angles C4'-P-C4' energy: -80.372
flat angles P-C4'-P energy: -44.424
tors. eta vs tors. theta energy: -90.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1057.601015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.601015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.601015 (E_RNA)
where:
Base-Base interactions energy: -706.431
where: short stacking energy: -303.502
Base-Backbone interact. energy: -1.849
local terms energy: -349.321009
where:
bonds (distance) C4'-P energy: -64.423
bonds (distance) P-C4' energy: -73.679
flat angles C4'-P-C4' energy: -77.058
flat angles P-C4'-P energy: -47.960
tors. eta vs tors. theta energy: -86.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1085.350145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.350145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.350145 (E_RNA)
where:
Base-Base interactions energy: -742.676
where: short stacking energy: -303.059
Base-Backbone interact. energy: -2.107
local terms energy: -340.567098
where:
bonds (distance) C4'-P energy: -68.089
bonds (distance) P-C4' energy: -70.272
flat angles C4'-P-C4' energy: -74.190
flat angles P-C4'-P energy: -49.683
tors. eta vs tors. theta energy: -78.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -991.193269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.193269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.193269 (E_RNA)
where:
Base-Base interactions energy: -684.797
where: short stacking energy: -311.710
Base-Backbone interact. energy: 0.392
local terms energy: -306.788016
where:
bonds (distance) C4'-P energy: -57.337
bonds (distance) P-C4' energy: -76.492
flat angles C4'-P-C4' energy: -70.545
flat angles P-C4'-P energy: -28.827
tors. eta vs tors. theta energy: -73.587
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: 9
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -978.953013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.953013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.953013 (E_RNA)
where:
Base-Base interactions energy: -669.718
where: short stacking energy: -262.449
Base-Backbone interact. energy: -1.568
local terms energy: -307.666970
where:
bonds (distance) C4'-P energy: -63.069
bonds (distance) P-C4' energy: -66.157
flat angles C4'-P-C4' energy: -73.802
flat angles P-C4'-P energy: -40.306
tors. eta vs tors. theta energy: -64.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -798.019239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.019239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.019239 (E_RNA)
where:
Base-Base interactions energy: -514.703
where: short stacking energy: -208.808
Base-Backbone interact. energy: 4.815
local terms energy: -288.131555
where:
bonds (distance) C4'-P energy: -65.496
bonds (distance) P-C4' energy: -72.123
flat angles C4'-P-C4' energy: -59.503
flat angles P-C4'-P energy: -32.548
tors. eta vs tors. theta energy: -58.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -482.511142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.511142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.511142 (E_RNA)
where:
Base-Base interactions energy: -252.875
where: short stacking energy: -132.034
Base-Backbone interact. energy: -1.554
local terms energy: -228.082052
where:
bonds (distance) C4'-P energy: -68.582
bonds (distance) P-C4' energy: -59.004
flat angles C4'-P-C4' energy: -56.904
flat angles P-C4'-P energy: -30.585
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: 9, replica: 10
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -335.563732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.563732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.563732 (E_RNA)
where:
Base-Base interactions energy: -101.950
where: short stacking energy: -81.410
Base-Backbone interact. energy: 1.280
local terms energy: -234.893142
where:
bonds (distance) C4'-P energy: -76.896
bonds (distance) P-C4' energy: -75.047
flat angles C4'-P-C4' energy: -53.138
flat angles P-C4'-P energy: -35.293
tors. eta vs tors. theta energy: 5.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -362.711964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.711964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.711964 (E_RNA)
where:
Base-Base interactions energy: -169.859
where: short stacking energy: -81.811
Base-Backbone interact. energy: 2.719
local terms energy: -195.572405
where:
bonds (distance) C4'-P energy: -54.693
bonds (distance) P-C4' energy: -55.997
flat angles C4'-P-C4' energy: -59.528
flat angles P-C4'-P energy: -27.295
tors. eta vs tors. theta energy: 1.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1243.604148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.604148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.604148 (E_RNA)
where:
Base-Base interactions energy: -849.392
where: short stacking energy: -354.056
Base-Backbone interact. energy: -3.191
local terms energy: -391.020788
where:
bonds (distance) C4'-P energy: -70.165
bonds (distance) P-C4' energy: -77.257
flat angles C4'-P-C4' energy: -87.232
flat angles P-C4'-P energy: -62.875
tors. eta vs tors. theta energy: -93.492
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: 1
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1202.673783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.673783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.673783 (E_RNA)
where:
Base-Base interactions energy: -796.594
where: short stacking energy: -348.708
Base-Backbone interact. energy: -2.177
local terms energy: -403.903188
where:
bonds (distance) C4'-P energy: -76.592
bonds (distance) P-C4' energy: -75.900
flat angles C4'-P-C4' energy: -79.139
flat angles P-C4'-P energy: -62.641
tors. eta vs tors. theta energy: -109.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -1078.274279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.274279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.274279 (E_RNA)
where:
Base-Base interactions energy: -708.562
where: short stacking energy: -304.384
Base-Backbone interact. energy: 0.203
local terms energy: -369.914976
where:
bonds (distance) C4'-P energy: -84.049
bonds (distance) P-C4' energy: -76.929
flat angles C4'-P-C4' energy: -75.913
flat angles P-C4'-P energy: -46.469
tors. eta vs tors. theta energy: -86.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1078.091150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.091150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.091150 (E_RNA)
where:
Base-Base interactions energy: -743.392
where: short stacking energy: -317.692
Base-Backbone interact. energy: 0.367
local terms energy: -335.066238
where:
bonds (distance) C4'-P energy: -60.889
bonds (distance) P-C4' energy: -58.361
flat angles C4'-P-C4' energy: -78.048
flat angles P-C4'-P energy: -58.597
tors. eta vs tors. theta energy: -79.171
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: 5
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -975.880611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.880611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.880611 (E_RNA)
where:
Base-Base interactions energy: -673.316
where: short stacking energy: -269.687
Base-Backbone interact. energy: -1.337
local terms energy: -301.227848
where:
bonds (distance) C4'-P energy: -61.865
bonds (distance) P-C4' energy: -65.837
flat angles C4'-P-C4' energy: -71.252
flat angles P-C4'-P energy: -35.650
tors. eta vs tors. theta energy: -66.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -984.024709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.024709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.024709 (E_RNA)
where:
Base-Base interactions energy: -675.608
where: short stacking energy: -267.503
Base-Backbone interact. energy: -4.190
local terms energy: -304.226599
where:
bonds (distance) C4'-P energy: -70.812
bonds (distance) P-C4' energy: -52.679
flat angles C4'-P-C4' energy: -68.700
flat angles P-C4'-P energy: -49.299
tors. eta vs tors. theta energy: -62.736
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: 4
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -808.977167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.977167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.977167 (E_RNA)
where:
Base-Base interactions energy: -531.572
where: short stacking energy: -228.878
Base-Backbone interact. energy: 2.005
local terms energy: -279.410535
where:
bonds (distance) C4'-P energy: -46.710
bonds (distance) P-C4' energy: -67.203
flat angles C4'-P-C4' energy: -69.344
flat angles P-C4'-P energy: -39.383
tors. eta vs tors. theta energy: -56.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -473.492553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.492553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.492553 (E_RNA)
where:
Base-Base interactions energy: -250.464
where: short stacking energy: -141.129
Base-Backbone interact. energy: 3.797
local terms energy: -226.825775
where:
bonds (distance) C4'-P energy: -60.824
bonds (distance) P-C4' energy: -74.058
flat angles C4'-P-C4' energy: -44.492
flat angles P-C4'-P energy: -28.002
tors. eta vs tors. theta energy: -19.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -390.236882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.236882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.236882 (E_RNA)
where:
Base-Base interactions energy: -184.504
where: short stacking energy: -109.852
Base-Backbone interact. energy: 1.494
local terms energy: -207.226408
where:
bonds (distance) C4'-P energy: -72.951
bonds (distance) P-C4' energy: -57.703
flat angles C4'-P-C4' energy: -47.775
flat angles P-C4'-P energy: -23.738
tors. eta vs tors. theta energy: -5.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -320.302906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.302906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.302906 (E_RNA)
where:
Base-Base interactions energy: -120.309
where: short stacking energy: -97.123
Base-Backbone interact. energy: -1.417
local terms energy: -198.576178
where:
bonds (distance) C4'-P energy: -43.441
bonds (distance) P-C4' energy: -70.272
flat angles C4'-P-C4' energy: -44.615
flat angles P-C4'-P energy: -38.543
tors. eta vs tors. theta energy: -1.706
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: 7
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1239.028367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.028367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.028367 (E_RNA)
where:
Base-Base interactions energy: -860.033
where: short stacking energy: -334.385
Base-Backbone interact. energy: -4.925
local terms energy: -374.069981
where:
bonds (distance) C4'-P energy: -66.737
bonds (distance) P-C4' energy: -74.309
flat angles C4'-P-C4' energy: -77.552
flat angles P-C4'-P energy: -56.404
tors. eta vs tors. theta energy: -99.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1186.026009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.026009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.026009 (E_RNA)
where:
Base-Base interactions energy: -827.132
where: short stacking energy: -344.779
Base-Backbone interact. energy: -1.992
local terms energy: -356.902353
where:
bonds (distance) C4'-P energy: -66.267
bonds (distance) P-C4' energy: -69.410
flat angles C4'-P-C4' energy: -71.380
flat angles P-C4'-P energy: -46.554
tors. eta vs tors. theta energy: -103.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1052.505673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.505673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.505673 (E_RNA)
where:
Base-Base interactions energy: -700.569
where: short stacking energy: -309.936
Base-Backbone interact. energy: -0.770
local terms energy: -351.167275
where:
bonds (distance) C4'-P energy: -72.117
bonds (distance) P-C4' energy: -70.927
flat angles C4'-P-C4' energy: -70.662
flat angles P-C4'-P energy: -49.973
tors. eta vs tors. theta energy: -87.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -1072.676664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.676664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.676664 (E_RNA)
where:
Base-Base interactions energy: -728.354
where: short stacking energy: -300.025
Base-Backbone interact. energy: 0.799
local terms energy: -345.121311
where:
bonds (distance) C4'-P energy: -71.644
bonds (distance) P-C4' energy: -63.677
flat angles C4'-P-C4' energy: -79.277
flat angles P-C4'-P energy: -44.112
tors. eta vs tors. theta energy: -86.411
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: 5, replica: 5
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -962.654433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.654433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.654433 (E_RNA)
where:
Base-Base interactions energy: -627.419
where: short stacking energy: -259.482
Base-Backbone interact. energy: -0.503
local terms energy: -334.733223
where:
bonds (distance) C4'-P energy: -66.231
bonds (distance) P-C4' energy: -69.599
flat angles C4'-P-C4' energy: -78.194
flat angles P-C4'-P energy: -47.028
tors. eta vs tors. theta energy: -73.682
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: 9
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -956.936463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.936463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.936463 (E_RNA)
where:
Base-Base interactions energy: -647.113
where: short stacking energy: -255.348
Base-Backbone interact. energy: -1.707
local terms energy: -308.115723
where:
bonds (distance) C4'-P energy: -56.526
bonds (distance) P-C4' energy: -70.256
flat angles C4'-P-C4' energy: -73.359
flat angles P-C4'-P energy: -41.475
tors. eta vs tors. theta energy: -66.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -755.172689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.172689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.172689 (E_RNA)
where:
Base-Base interactions energy: -474.675
where: short stacking energy: -210.142
Base-Backbone interact. energy: -0.139
local terms energy: -280.359154
where:
bonds (distance) C4'-P energy: -50.784
bonds (distance) P-C4' energy: -72.432
flat angles C4'-P-C4' energy: -64.062
flat angles P-C4'-P energy: -46.906
tors. eta vs tors. theta energy: -46.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -450.055172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.055172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.055172 (E_RNA)
where:
Base-Base interactions energy: -238.955
where: short stacking energy: -103.101
Base-Backbone interact. energy: -1.841
local terms energy: -209.259242
where:
bonds (distance) C4'-P energy: -55.834
bonds (distance) P-C4' energy: -83.508
flat angles C4'-P-C4' energy: -47.824
flat angles P-C4'-P energy: -31.527
tors. eta vs tors. theta energy: 9.434
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: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -406.857002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.857002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.857002 (E_RNA)
where:
Base-Base interactions energy: -191.712
where: short stacking energy: -122.092
Base-Backbone interact. energy: 8.380
local terms energy: -223.525125
where:
bonds (distance) C4'-P energy: -64.542
bonds (distance) P-C4' energy: -67.737
flat angles C4'-P-C4' energy: -51.888
flat angles P-C4'-P energy: -35.599
tors. eta vs tors. theta energy: -3.758
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: 10
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -307.490452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.490452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.490452 (E_RNA)
where:
Base-Base interactions energy: -112.401
where: short stacking energy: -70.491
Base-Backbone interact. energy: -2.958
local terms energy: -192.131303
where:
bonds (distance) C4'-P energy: -64.482
bonds (distance) P-C4' energy: -53.034
flat angles C4'-P-C4' energy: -53.028
flat angles P-C4'-P energy: -36.999
tors. eta vs tors. theta energy: 15.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1247.353298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.353298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.353298 (E_RNA)
where:
Base-Base interactions energy: -835.714
where: short stacking energy: -347.044
Base-Backbone interact. energy: -2.478
local terms energy: -409.160371
where:
bonds (distance) C4'-P energy: -80.762
bonds (distance) P-C4' energy: -87.436
flat angles C4'-P-C4' energy: -86.504
flat angles P-C4'-P energy: -55.757
tors. eta vs tors. theta energy: -98.701
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: 2, replica: 1
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1166.269856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.269856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.269856 (E_RNA)
where:
Base-Base interactions energy: -788.218
where: short stacking energy: -329.646
Base-Backbone interact. energy: -0.374
local terms energy: -377.677927
where:
bonds (distance) C4'-P energy: -61.830
bonds (distance) P-C4' energy: -79.089
flat angles C4'-P-C4' energy: -74.046
flat angles P-C4'-P energy: -50.972
tors. eta vs tors. theta energy: -111.740
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: 3
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1063.311678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.311678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.311678 (E_RNA)
where:
Base-Base interactions energy: -721.096
where: short stacking energy: -312.076
Base-Backbone interact. energy: 0.055
local terms energy: -342.270492
where:
bonds (distance) C4'-P energy: -67.934
bonds (distance) P-C4' energy: -71.678
flat angles C4'-P-C4' energy: -70.012
flat angles P-C4'-P energy: -49.975
tors. eta vs tors. theta energy: -82.672
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: 118
Temperature: 1.050000
Total energy: -1044.786972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.786972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.786972 (E_RNA)
where:
Base-Base interactions energy: -698.094
where: short stacking energy: -299.776
Base-Backbone interact. energy: -1.920
local terms energy: -344.773255
where:
bonds (distance) C4'-P energy: -72.470
bonds (distance) P-C4' energy: -77.486
flat angles C4'-P-C4' energy: -78.552
flat angles P-C4'-P energy: -43.729
tors. eta vs tors. theta energy: -72.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -997.253166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.253166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.253166 (E_RNA)
where:
Base-Base interactions energy: -685.190
where: short stacking energy: -280.605
Base-Backbone interact. energy: 3.202
local terms energy: -315.264645
where:
bonds (distance) C4'-P energy: -75.669
bonds (distance) P-C4' energy: -57.478
flat angles C4'-P-C4' energy: -67.895
flat angles P-C4'-P energy: -47.702
tors. eta vs tors. theta energy: -66.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -963.134572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.134572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.134572 (E_RNA)
where:
Base-Base interactions energy: -625.314
where: short stacking energy: -266.894
Base-Backbone interact. energy: -1.566
local terms energy: -336.254874
where:
bonds (distance) C4'-P energy: -68.192
bonds (distance) P-C4' energy: -66.412
flat angles C4'-P-C4' energy: -76.221
flat angles P-C4'-P energy: -43.927
tors. eta vs tors. theta energy: -81.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -762.382124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.382124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.382124 (E_RNA)
where:
Base-Base interactions energy: -475.845
where: short stacking energy: -198.512
Base-Backbone interact. energy: -0.689
local terms energy: -285.848382
where:
bonds (distance) C4'-P energy: -67.213
bonds (distance) P-C4' energy: -64.961
flat angles C4'-P-C4' energy: -68.261
flat angles P-C4'-P energy: -47.652
tors. eta vs tors. theta energy: -37.761
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: 8
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -409.453266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.453266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.453266 (E_RNA)
where:
Base-Base interactions energy: -182.075
where: short stacking energy: -119.692
Base-Backbone interact. energy: -1.503
local terms energy: -225.875166
where:
bonds (distance) C4'-P energy: -51.785
bonds (distance) P-C4' energy: -62.390
flat angles C4'-P-C4' energy: -67.353
flat angles P-C4'-P energy: -33.395
tors. eta vs tors. theta energy: -10.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -329.633678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.633678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.633678 (E_RNA)
where:
Base-Base interactions energy: -112.193
where: short stacking energy: -92.812
Base-Backbone interact. energy: -0.021
local terms energy: -217.419280
where:
bonds (distance) C4'-P energy: -48.776
bonds (distance) P-C4' energy: -70.142
flat angles C4'-P-C4' energy: -57.290
flat angles P-C4'-P energy: -43.074
tors. eta vs tors. theta energy: 1.863
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: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -426.619724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.619724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.619724 (E_RNA)
where:
Base-Base interactions energy: -226.106
where: short stacking energy: -116.635
Base-Backbone interact. energy: 0.577
local terms energy: -201.090350
where:
bonds (distance) C4'-P energy: -46.851
bonds (distance) P-C4' energy: -59.289
flat angles C4'-P-C4' energy: -47.386
flat angles P-C4'-P energy: -46.186
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: 1, replica: 7
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1244.907661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.907661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.907661 (E_RNA)
where:
Base-Base interactions energy: -851.952
where: short stacking energy: -335.636
Base-Backbone interact. energy: -3.225
local terms energy: -389.730424
where:
bonds (distance) C4'-P energy: -76.178
bonds (distance) P-C4' energy: -76.448
flat angles C4'-P-C4' energy: -78.465
flat angles P-C4'-P energy: -58.091
tors. eta vs tors. theta energy: -100.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1155.218483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.218483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.218483 (E_RNA)
where:
Base-Base interactions energy: -766.029
where: short stacking energy: -332.315
Base-Backbone interact. energy: -0.240
local terms energy: -388.949452
where:
bonds (distance) C4'-P energy: -66.191
bonds (distance) P-C4' energy: -72.860
flat angles C4'-P-C4' energy: -86.174
flat angles P-C4'-P energy: -58.328
tors. eta vs tors. theta energy: -105.396
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: 3
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1058.351105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.351105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.351105 (E_RNA)
where:
Base-Base interactions energy: -699.826
where: short stacking energy: -291.084
Base-Backbone interact. energy: 0.034
local terms energy: -358.558685
where:
bonds (distance) C4'-P energy: -68.978
bonds (distance) P-C4' energy: -73.784
flat angles C4'-P-C4' energy: -78.291
flat angles P-C4'-P energy: -51.633
tors. eta vs tors. theta energy: -85.873
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: 4, replica: 2
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1065.947300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.947300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.947300 (E_RNA)
where:
Base-Base interactions energy: -700.590
where: short stacking energy: -305.213
Base-Backbone interact. energy: -1.365
local terms energy: -363.992231
where:
bonds (distance) C4'-P energy: -71.862
bonds (distance) P-C4' energy: -73.154
flat angles C4'-P-C4' energy: -85.528
flat angles P-C4'-P energy: -50.758
tors. eta vs tors. theta energy: -82.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1010.956594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.956594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.956594 (E_RNA)
where:
Base-Base interactions energy: -690.049
where: short stacking energy: -266.303
Base-Backbone interact. energy: -2.258
local terms energy: -318.648999
where:
bonds (distance) C4'-P energy: -57.556
bonds (distance) P-C4' energy: -68.559
flat angles C4'-P-C4' energy: -72.140
flat angles P-C4'-P energy: -52.743
tors. eta vs tors. theta energy: -67.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -925.327410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.327410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.327410 (E_RNA)
where:
Base-Base interactions energy: -613.791
where: short stacking energy: -242.099
Base-Backbone interact. energy: -0.528
local terms energy: -311.008961
where:
bonds (distance) C4'-P energy: -69.051
bonds (distance) P-C4' energy: -82.243
flat angles C4'-P-C4' energy: -60.634
flat angles P-C4'-P energy: -40.773
tors. eta vs tors. theta energy: -58.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -781.315002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.315002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.315002 (E_RNA)
where:
Base-Base interactions energy: -500.443
where: short stacking energy: -217.163
Base-Backbone interact. energy: 0.861
local terms energy: -281.733758
where:
bonds (distance) C4'-P energy: -68.506
bonds (distance) P-C4' energy: -57.958
flat angles C4'-P-C4' energy: -62.466
flat angles P-C4'-P energy: -36.593
tors. eta vs tors. theta energy: -56.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -395.004343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.004343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.004343 (E_RNA)
where:
Base-Base interactions energy: -169.066
where: short stacking energy: -98.983
Base-Backbone interact. energy: -1.029
local terms energy: -224.909381
where:
bonds (distance) C4'-P energy: -55.604
bonds (distance) P-C4' energy: -68.896
flat angles C4'-P-C4' energy: -68.931
flat angles P-C4'-P energy: -33.368
tors. eta vs tors. theta energy: 1.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -334.411336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.411336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.411336 (E_RNA)
where:
Base-Base interactions energy: -128.893
where: short stacking energy: -94.385
Base-Backbone interact. energy: 0.710
local terms energy: -206.228564
where:
bonds (distance) C4'-P energy: -64.947
bonds (distance) P-C4' energy: -58.750
flat angles C4'-P-C4' energy: -51.568
flat angles P-C4'-P energy: -40.790
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: 10, replica: 6
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -372.096322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.096322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.096322 (E_RNA)
where:
Base-Base interactions energy: -178.715
where: short stacking energy: -125.816
Base-Backbone interact. energy: 1.337
local terms energy: -194.718047
where:
bonds (distance) C4'-P energy: -43.119
bonds (distance) P-C4' energy: -45.928
flat angles C4'-P-C4' energy: -65.445
flat angles P-C4'-P energy: -40.996
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: 1, replica: 7
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1254.809956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.809956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.809956 (E_RNA)
where:
Base-Base interactions energy: -877.060
where: short stacking energy: -357.558
Base-Backbone interact. energy: -1.949
local terms energy: -375.800676
where:
bonds (distance) C4'-P energy: -77.976
bonds (distance) P-C4' energy: -74.929
flat angles C4'-P-C4' energy: -81.130
flat angles P-C4'-P energy: -40.833
tors. eta vs tors. theta energy: -100.933
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: 1
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1174.005645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.005645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.005645 (E_RNA)
where:
Base-Base interactions energy: -779.632
where: short stacking energy: -347.024
Base-Backbone interact. energy: -1.525
local terms energy: -392.849180
where:
bonds (distance) C4'-P energy: -66.394
bonds (distance) P-C4' energy: -69.002
flat angles C4'-P-C4' energy: -85.050
flat angles P-C4'-P energy: -59.118
tors. eta vs tors. theta energy: -113.286
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: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1045.704934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.704934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.704934 (E_RNA)
where:
Base-Base interactions energy: -690.374
where: short stacking energy: -307.947
Base-Backbone interact. energy: -0.488
local terms energy: -354.843413
where:
bonds (distance) C4'-P energy: -74.769
bonds (distance) P-C4' energy: -65.125
flat angles C4'-P-C4' energy: -74.327
flat angles P-C4'-P energy: -46.942
tors. eta vs tors. theta energy: -93.681
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: 120
Temperature: 1.050000
Total energy: -1060.257098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.257098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.257098 (E_RNA)
where:
Base-Base interactions energy: -698.148
where: short stacking energy: -290.793
Base-Backbone interact. energy: -2.309
local terms energy: -359.800590
where:
bonds (distance) C4'-P energy: -78.926
bonds (distance) P-C4' energy: -72.255
flat angles C4'-P-C4' energy: -74.001
flat angles P-C4'-P energy: -53.540
tors. eta vs tors. theta energy: -81.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -968.107598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.107598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.107598 (E_RNA)
where:
Base-Base interactions energy: -627.604
where: short stacking energy: -257.457
Base-Backbone interact. energy: 0.356
local terms energy: -340.859822
where:
bonds (distance) C4'-P energy: -68.924
bonds (distance) P-C4' energy: -65.725
flat angles C4'-P-C4' energy: -73.241
flat angles P-C4'-P energy: -57.267
tors. eta vs tors. theta energy: -75.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -919.472810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.472810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.472810 (E_RNA)
where:
Base-Base interactions energy: -624.515
where: short stacking energy: -266.049
Base-Backbone interact. energy: -2.212
local terms energy: -292.745415
where:
bonds (distance) C4'-P energy: -54.235
bonds (distance) P-C4' energy: -62.667
flat angles C4'-P-C4' energy: -72.984
flat angles P-C4'-P energy: -42.374
tors. eta vs tors. theta energy: -60.486
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: 4
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -760.496273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.496273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.496273 (E_RNA)
where:
Base-Base interactions energy: -478.246
where: short stacking energy: -206.227
Base-Backbone interact. energy: 0.231
local terms energy: -282.481203
where:
bonds (distance) C4'-P energy: -53.935
bonds (distance) P-C4' energy: -64.482
flat angles C4'-P-C4' energy: -70.675
flat angles P-C4'-P energy: -43.831
tors. eta vs tors. theta energy: -49.558
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: 8
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -422.603702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.603702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.603702 (E_RNA)
where:
Base-Base interactions energy: -217.232
where: short stacking energy: -120.672
Base-Backbone interact. energy: -0.090
local terms energy: -205.281932
where:
bonds (distance) C4'-P energy: -49.698
bonds (distance) P-C4' energy: -72.008
flat angles C4'-P-C4' energy: -43.374
flat angles P-C4'-P energy: -38.223
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: 9, replica: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -391.882294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.882294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.882294 (E_RNA)
where:
Base-Base interactions energy: -189.577
where: short stacking energy: -125.402
Base-Backbone interact. energy: -2.909
local terms energy: -199.395492
where:
bonds (distance) C4'-P energy: -56.037
bonds (distance) P-C4' energy: -55.623
flat angles C4'-P-C4' energy: -57.792
flat angles P-C4'-P energy: -28.823
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: 10, replica: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -348.479049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.479049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.479049 (E_RNA)
where:
Base-Base interactions energy: -145.821
where: short stacking energy: -101.581
Base-Backbone interact. energy: -1.973
local terms energy: -200.685328
where:
bonds (distance) C4'-P energy: -56.706
bonds (distance) P-C4' energy: -67.415
flat angles C4'-P-C4' energy: -55.000
flat angles P-C4'-P energy: -36.488
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: 1, replica: 7
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1248.430613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.430613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.430613 (E_RNA)
where:
Base-Base interactions energy: -875.386
where: short stacking energy: -369.471
Base-Backbone interact. energy: -1.202
local terms energy: -371.842814
where:
bonds (distance) C4'-P energy: -60.771
bonds (distance) P-C4' energy: -78.619
flat angles C4'-P-C4' energy: -85.864
flat angles P-C4'-P energy: -42.932
tors. eta vs tors. theta energy: -103.656
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: 1
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1175.256593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.256593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.256593 (E_RNA)
where:
Base-Base interactions energy: -783.231
where: short stacking energy: -354.093
Base-Backbone interact. energy: -0.005
local terms energy: -392.020428
where:
bonds (distance) C4'-P energy: -74.209
bonds (distance) P-C4' energy: -68.804
flat angles C4'-P-C4' energy: -83.047
flat angles P-C4'-P energy: -55.918
tors. eta vs tors. theta energy: -110.043
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: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1071.564505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.564505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.564505 (E_RNA)
where:
Base-Base interactions energy: -711.535
where: short stacking energy: -331.630
Base-Backbone interact. energy: -0.118
local terms energy: -359.910913
where:
bonds (distance) C4'-P energy: -67.081
bonds (distance) P-C4' energy: -65.386
flat angles C4'-P-C4' energy: -79.867
flat angles P-C4'-P energy: -52.651
tors. eta vs tors. theta energy: -94.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1005.951239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.951239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.951239 (E_RNA)
where:
Base-Base interactions energy: -674.708
where: short stacking energy: -285.802
Base-Backbone interact. energy: -0.956
local terms energy: -330.286732
where:
bonds (distance) C4'-P energy: -64.235
bonds (distance) P-C4' energy: -65.520
flat angles C4'-P-C4' energy: -70.668
flat angles P-C4'-P energy: -54.272
tors. eta vs tors. theta energy: -75.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -959.308355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.308355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.308355 (E_RNA)
where:
Base-Base interactions energy: -664.008
where: short stacking energy: -279.256
Base-Backbone interact. energy: 0.204
local terms energy: -295.504103
where:
bonds (distance) C4'-P energy: -53.089
bonds (distance) P-C4' energy: -50.237
flat angles C4'-P-C4' energy: -69.992
flat angles P-C4'-P energy: -45.442
tors. eta vs tors. theta energy: -76.744
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: 5
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -881.862781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.862781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.862781 (E_RNA)
where:
Base-Base interactions energy: -573.366
where: short stacking energy: -243.847
Base-Backbone interact. energy: -1.421
local terms energy: -307.075598
where:
bonds (distance) C4'-P energy: -66.265
bonds (distance) P-C4' energy: -71.342
flat angles C4'-P-C4' energy: -64.158
flat angles P-C4'-P energy: -45.101
tors. eta vs tors. theta energy: -60.210
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: 4
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -764.967084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.967084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.967084 (E_RNA)
where:
Base-Base interactions energy: -479.004
where: short stacking energy: -211.539
Base-Backbone interact. energy: 0.199
local terms energy: -286.161998
where:
bonds (distance) C4'-P energy: -68.615
bonds (distance) P-C4' energy: -69.715
flat angles C4'-P-C4' energy: -64.142
flat angles P-C4'-P energy: -45.707
tors. eta vs tors. theta energy: -37.983
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: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -422.980504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.980504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.980504 (E_RNA)
where:
Base-Base interactions energy: -194.180
where: short stacking energy: -136.127
Base-Backbone interact. energy: 1.386
local terms energy: -230.186339
where:
bonds (distance) C4'-P energy: -61.663
bonds (distance) P-C4' energy: -62.117
flat angles C4'-P-C4' energy: -54.531
flat angles P-C4'-P energy: -30.470
tors. eta vs tors. theta energy: -21.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -394.560400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.560400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.560400 (E_RNA)
where:
Base-Base interactions energy: -149.897
where: short stacking energy: -77.671
Base-Backbone interact. energy: -0.778
local terms energy: -243.885976
where:
bonds (distance) C4'-P energy: -62.226
bonds (distance) P-C4' energy: -71.575
flat angles C4'-P-C4' energy: -74.842
flat angles P-C4'-P energy: -37.073
tors. eta vs tors. theta energy: 1.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -345.349754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.349754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.349754 (E_RNA)
where:
Base-Base interactions energy: -155.775
where: short stacking energy: -86.820
Base-Backbone interact. energy: 4.390
local terms energy: -193.964709
where:
bonds (distance) C4'-P energy: -62.404
bonds (distance) P-C4' energy: -69.534
flat angles C4'-P-C4' energy: -50.091
flat angles P-C4'-P energy: -28.015
tors. eta vs tors. theta energy: 16.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1205.156705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.156705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.156705 (E_RNA)
where:
Base-Base interactions energy: -830.127
where: short stacking energy: -331.363
Base-Backbone interact. energy: -3.547
local terms energy: -371.482715
where:
bonds (distance) C4'-P energy: -71.907
bonds (distance) P-C4' energy: -74.431
flat angles C4'-P-C4' energy: -81.539
flat angles P-C4'-P energy: -51.187
tors. eta vs tors. theta energy: -92.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1185.738841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.738841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.738841 (E_RNA)
where:
Base-Base interactions energy: -766.884
where: short stacking energy: -359.843
Base-Backbone interact. energy: -2.558
local terms energy: -416.296908
where:
bonds (distance) C4'-P energy: -74.114
bonds (distance) P-C4' energy: -83.619
flat angles C4'-P-C4' energy: -82.354
flat angles P-C4'-P energy: -65.271
tors. eta vs tors. theta energy: -110.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1099.843753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.843753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.843753 (E_RNA)
where:
Base-Base interactions energy: -730.170
where: short stacking energy: -324.627
Base-Backbone interact. energy: -0.372
local terms energy: -369.301406
where:
bonds (distance) C4'-P energy: -66.748
bonds (distance) P-C4' energy: -72.972
flat angles C4'-P-C4' energy: -84.763
flat angles P-C4'-P energy: -58.690
tors. eta vs tors. theta energy: -86.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -998.563126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.563126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.563126 (E_RNA)
where:
Base-Base interactions energy: -657.160
where: short stacking energy: -271.529
Base-Backbone interact. energy: -2.057
local terms energy: -339.346480
where:
bonds (distance) C4'-P energy: -71.281
bonds (distance) P-C4' energy: -76.716
flat angles C4'-P-C4' energy: -75.421
flat angles P-C4'-P energy: -50.372
tors. eta vs tors. theta energy: -65.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -959.395885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.395885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.395885 (E_RNA)
where:
Base-Base interactions energy: -660.821
where: short stacking energy: -292.168
Base-Backbone interact. energy: -1.962
local terms energy: -296.613469
where:
bonds (distance) C4'-P energy: -63.110
bonds (distance) P-C4' energy: -62.018
flat angles C4'-P-C4' energy: -60.074
flat angles P-C4'-P energy: -40.820
tors. eta vs tors. theta energy: -70.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -938.773509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.773509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.773509 (E_RNA)
where:
Base-Base interactions energy: -620.946
where: short stacking energy: -258.528
Base-Backbone interact. energy: 2.713
local terms energy: -320.540993
where:
bonds (distance) C4'-P energy: -65.593
bonds (distance) P-C4' energy: -76.626
flat angles C4'-P-C4' energy: -72.754
flat angles P-C4'-P energy: -43.439
tors. eta vs tors. theta energy: -62.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -751.582680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.582680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.582680 (E_RNA)
where:
Base-Base interactions energy: -449.744
where: short stacking energy: -209.562
Base-Backbone interact. energy: -2.349
local terms energy: -299.489607
where:
bonds (distance) C4'-P energy: -67.227
bonds (distance) P-C4' energy: -63.648
flat angles C4'-P-C4' energy: -70.139
flat angles P-C4'-P energy: -47.207
tors. eta vs tors. theta energy: -51.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -448.298733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.298733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.298733 (E_RNA)
where:
Base-Base interactions energy: -200.955
where: short stacking energy: -119.986
Base-Backbone interact. energy: -0.251
local terms energy: -247.092483
where:
bonds (distance) C4'-P energy: -69.178
bonds (distance) P-C4' energy: -69.616
flat angles C4'-P-C4' energy: -51.646
flat angles P-C4'-P energy: -34.848
tors. eta vs tors. theta energy: -21.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -382.409100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.409100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.409100 (E_RNA)
where:
Base-Base interactions energy: -149.993
where: short stacking energy: -96.130
Base-Backbone interact. energy: 4.905
local terms energy: -237.321464
where:
bonds (distance) C4'-P energy: -59.824
bonds (distance) P-C4' energy: -73.545
flat angles C4'-P-C4' energy: -64.036
flat angles P-C4'-P energy: -34.935
tors. eta vs tors. theta energy: -4.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -447.875071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.875071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.875071 (E_RNA)
where:
Base-Base interactions energy: -232.055
where: short stacking energy: -125.399
Base-Backbone interact. energy: 0.934
local terms energy: -216.753317
where:
bonds (distance) C4'-P energy: -59.669
bonds (distance) P-C4' energy: -56.357
flat angles C4'-P-C4' energy: -47.867
flat angles P-C4'-P energy: -44.703
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: 1, replica: 7
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1214.738248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.738248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.738248 (E_RNA)
where:
Base-Base interactions energy: -844.185
where: short stacking energy: -337.932
Base-Backbone interact. energy: -2.183
local terms energy: -368.370421
where:
bonds (distance) C4'-P energy: -68.016
bonds (distance) P-C4' energy: -73.414
flat angles C4'-P-C4' energy: -83.663
flat angles P-C4'-P energy: -49.489
tors. eta vs tors. theta energy: -93.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1182.585928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.585928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.585928 (E_RNA)
where:
Base-Base interactions energy: -797.000
where: short stacking energy: -331.509
Base-Backbone interact. energy: 3.720
local terms energy: -389.305866
where:
bonds (distance) C4'-P energy: -86.066
bonds (distance) P-C4' energy: -70.172
flat angles C4'-P-C4' energy: -80.659
flat angles P-C4'-P energy: -48.329
tors. eta vs tors. theta energy: -104.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1112.992053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.992053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.992053 (E_RNA)
where:
Base-Base interactions energy: -743.549
where: short stacking energy: -324.994
Base-Backbone interact. energy: -2.049
local terms energy: -367.394501
where:
bonds (distance) C4'-P energy: -62.221
bonds (distance) P-C4' energy: -74.650
flat angles C4'-P-C4' energy: -77.243
flat angles P-C4'-P energy: -58.787
tors. eta vs tors. theta energy: -94.493
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: 2
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1003.346326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.346326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.346326 (E_RNA)
where:
Base-Base interactions energy: -664.450
where: short stacking energy: -288.109
Base-Backbone interact. energy: -0.033
local terms energy: -338.862792
where:
bonds (distance) C4'-P energy: -60.092
bonds (distance) P-C4' energy: -68.324
flat angles C4'-P-C4' energy: -80.274
flat angles P-C4'-P energy: -50.805
tors. eta vs tors. theta energy: -79.368
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: 123
Temperature: 1.100000
Total energy: -920.888009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.888009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.888009 (E_RNA)
where:
Base-Base interactions energy: -595.405
where: short stacking energy: -260.905
Base-Backbone interact. energy: 6.262
local terms energy: -331.745219
where:
bonds (distance) C4'-P energy: -65.317
bonds (distance) P-C4' energy: -70.172
flat angles C4'-P-C4' energy: -80.502
flat angles P-C4'-P energy: -51.002
tors. eta vs tors. theta energy: -64.752
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: 6, replica: 9
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -896.904814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.904814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.904814 (E_RNA)
where:
Base-Base interactions energy: -581.268
where: short stacking energy: -230.916
Base-Backbone interact. energy: -2.205
local terms energy: -313.431323
where:
bonds (distance) C4'-P energy: -67.369
bonds (distance) P-C4' energy: -64.211
flat angles C4'-P-C4' energy: -68.925
flat angles P-C4'-P energy: -46.409
tors. eta vs tors. theta energy: -66.517
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: 7, replica: 4
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -784.562378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.562378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.562378 (E_RNA)
where:
Base-Base interactions energy: -493.513
where: short stacking energy: -225.810
Base-Backbone interact. energy: -0.001
local terms energy: -291.048265
where:
bonds (distance) C4'-P energy: -53.244
bonds (distance) P-C4' energy: -64.450
flat angles C4'-P-C4' energy: -64.233
flat angles P-C4'-P energy: -48.665
tors. eta vs tors. theta energy: -60.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -408.783263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.783263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.783263 (E_RNA)
where:
Base-Base interactions energy: -183.876
where: short stacking energy: -95.514
Base-Backbone interact. energy: -1.470
local terms energy: -223.436697
where:
bonds (distance) C4'-P energy: -54.146
bonds (distance) P-C4' energy: -70.083
flat angles C4'-P-C4' energy: -53.990
flat angles P-C4'-P energy: -40.917
tors. eta vs tors. theta energy: -4.302
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: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -371.487474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.487474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.487474 (E_RNA)
where:
Base-Base interactions energy: -157.496
where: short stacking energy: -78.529
Base-Backbone interact. energy: 3.949
local terms energy: -217.939981
where:
bonds (distance) C4'-P energy: -52.050
bonds (distance) P-C4' energy: -78.067
flat angles C4'-P-C4' energy: -63.459
flat angles P-C4'-P energy: -36.950
tors. eta vs tors. theta energy: 12.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -436.509922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.509922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.509922 (E_RNA)
where:
Base-Base interactions energy: -228.589
where: short stacking energy: -118.772
Base-Backbone interact. energy: -2.104
local terms energy: -205.816293
where:
bonds (distance) C4'-P energy: -60.115
bonds (distance) P-C4' energy: -53.577
flat angles C4'-P-C4' energy: -63.827
flat angles P-C4'-P energy: -26.853
tors. eta vs tors. theta energy: -1.444
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: 7
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1199.954926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.954926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.954926 (E_RNA)
where:
Base-Base interactions energy: -826.699
where: short stacking energy: -325.422
Base-Backbone interact. energy: -2.938
local terms energy: -370.317437
where:
bonds (distance) C4'-P energy: -63.363
bonds (distance) P-C4' energy: -77.167
flat angles C4'-P-C4' energy: -82.065
flat angles P-C4'-P energy: -60.658
tors. eta vs tors. theta energy: -87.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1172.626556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.626556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.626556 (E_RNA)
where:
Base-Base interactions energy: -803.016
where: short stacking energy: -363.594
Base-Backbone interact. energy: 0.751
local terms energy: -370.361563
where:
bonds (distance) C4'-P energy: -53.971
bonds (distance) P-C4' energy: -71.735
flat angles C4'-P-C4' energy: -81.753
flat angles P-C4'-P energy: -58.134
tors. eta vs tors. theta energy: -104.768
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: 3, replica: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1110.367860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.367860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.367860 (E_RNA)
where:
Base-Base interactions energy: -746.513
where: short stacking energy: -336.144
Base-Backbone interact. energy: -3.245
local terms energy: -360.609991
where:
bonds (distance) C4'-P energy: -63.978
bonds (distance) P-C4' energy: -71.889
flat angles C4'-P-C4' energy: -88.811
flat angles P-C4'-P energy: -45.871
tors. eta vs tors. theta energy: -90.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1020.797109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.797109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.797109 (E_RNA)
where:
Base-Base interactions energy: -699.675
where: short stacking energy: -297.962
Base-Backbone interact. energy: 2.046
local terms energy: -323.167949
where:
bonds (distance) C4'-P energy: -68.692
bonds (distance) P-C4' energy: -54.922
flat angles C4'-P-C4' energy: -64.553
flat angles P-C4'-P energy: -53.136
tors. eta vs tors. theta energy: -81.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -958.676503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.676503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.676503 (E_RNA)
where:
Base-Base interactions energy: -639.086
where: short stacking energy: -282.874
Base-Backbone interact. energy: 0.817
local terms energy: -320.407957
where:
bonds (distance) C4'-P energy: -64.407
bonds (distance) P-C4' energy: -72.886
flat angles C4'-P-C4' energy: -71.563
flat angles P-C4'-P energy: -40.243
tors. eta vs tors. theta energy: -71.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -937.199182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.199182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.199182 (E_RNA)
where:
Base-Base interactions energy: -629.764
where: short stacking energy: -255.837
Base-Backbone interact. energy: -1.703
local terms energy: -305.731867
where:
bonds (distance) C4'-P energy: -61.158
bonds (distance) P-C4' energy: -75.528
flat angles C4'-P-C4' energy: -63.437
flat angles P-C4'-P energy: -51.290
tors. eta vs tors. theta energy: -54.319
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: 7, replica: 4
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -808.271604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.271604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.271604 (E_RNA)
where:
Base-Base interactions energy: -490.042
where: short stacking energy: -233.673
Base-Backbone interact. energy: -1.479
local terms energy: -316.750883
where:
bonds (distance) C4'-P energy: -63.315
bonds (distance) P-C4' energy: -70.874
flat angles C4'-P-C4' energy: -71.943
flat angles P-C4'-P energy: -48.788
tors. eta vs tors. theta energy: -61.831
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: 6
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -438.260941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.260941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.260941 (E_RNA)
where:
Base-Base interactions energy: -215.683
where: short stacking energy: -109.280
Base-Backbone interact. energy: -1.325
local terms energy: -221.253097
where:
bonds (distance) C4'-P energy: -69.294
bonds (distance) P-C4' energy: -67.697
flat angles C4'-P-C4' energy: -59.392
flat angles P-C4'-P energy: -33.339
tors. eta vs tors. theta energy: 8.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -479.091551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.091551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.091551 (E_RNA)
where:
Base-Base interactions energy: -253.443
where: short stacking energy: -123.722
Base-Backbone interact. energy: 0.060
local terms energy: -225.709063
where:
bonds (distance) C4'-P energy: -54.400
bonds (distance) P-C4' energy: -64.890
flat angles C4'-P-C4' energy: -56.810
flat angles P-C4'-P energy: -41.788
tors. eta vs tors. theta energy: -7.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -356.594441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.594441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.594441 (E_RNA)
where:
Base-Base interactions energy: -134.526
where: short stacking energy: -87.967
Base-Backbone interact. energy: -2.596
local terms energy: -219.471584
where:
bonds (distance) C4'-P energy: -65.725
bonds (distance) P-C4' energy: -63.310
flat angles C4'-P-C4' energy: -58.016
flat angles P-C4'-P energy: -34.268
tors. eta vs tors. theta energy: 1.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1203.824274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.824274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.824274 (E_RNA)
where:
Base-Base interactions energy: -823.296
where: short stacking energy: -330.651
Base-Backbone interact. energy: -2.383
local terms energy: -378.144466
where:
bonds (distance) C4'-P energy: -72.203
bonds (distance) P-C4' energy: -68.285
flat angles C4'-P-C4' energy: -90.447
flat angles P-C4'-P energy: -49.822
tors. eta vs tors. theta energy: -97.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1205.535351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.535351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.535351 (E_RNA)
where:
Base-Base interactions energy: -806.749
where: short stacking energy: -364.491
Base-Backbone interact. energy: -1.112
local terms energy: -397.673884
where:
bonds (distance) C4'-P energy: -68.488
bonds (distance) P-C4' energy: -87.097
flat angles C4'-P-C4' energy: -82.230
flat angles P-C4'-P energy: -48.995
tors. eta vs tors. theta energy: -110.864
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: 3, replica: 3
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1108.436764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.436764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.436764 (E_RNA)
where:
Base-Base interactions energy: -755.248
where: short stacking energy: -296.785
Base-Backbone interact. energy: 2.181
local terms energy: -355.369800
where:
bonds (distance) C4'-P energy: -75.906
bonds (distance) P-C4' energy: -69.445
flat angles C4'-P-C4' energy: -75.025
flat angles P-C4'-P energy: -56.779
tors. eta vs tors. theta energy: -78.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1022.875293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.875293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.875293 (E_RNA)
where:
Base-Base interactions energy: -667.449
where: short stacking energy: -303.202
Base-Backbone interact. energy: -1.644
local terms energy: -353.782243
where:
bonds (distance) C4'-P energy: -70.020
bonds (distance) P-C4' energy: -75.180
flat angles C4'-P-C4' energy: -76.370
flat angles P-C4'-P energy: -56.313
tors. eta vs tors. theta energy: -75.899
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: 5, replica: 5
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -972.385274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.385274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.385274 (E_RNA)
where:
Base-Base interactions energy: -641.012
where: short stacking energy: -272.332
Base-Backbone interact. energy: -0.222
local terms energy: -331.151355
where:
bonds (distance) C4'-P energy: -59.991
bonds (distance) P-C4' energy: -73.923
flat angles C4'-P-C4' energy: -80.278
flat angles P-C4'-P energy: -38.659
tors. eta vs tors. theta energy: -78.300
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: 9
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -960.031213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.031213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.031213 (E_RNA)
where:
Base-Base interactions energy: -639.608
where: short stacking energy: -256.342
Base-Backbone interact. energy: -1.661
local terms energy: -318.761686
where:
bonds (distance) C4'-P energy: -68.284
bonds (distance) P-C4' energy: -66.381
flat angles C4'-P-C4' energy: -70.678
flat angles P-C4'-P energy: -51.633
tors. eta vs tors. theta energy: -61.787
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: 7, replica: 4
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -773.903551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.903551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.903551 (E_RNA)
where:
Base-Base interactions energy: -494.476
where: short stacking energy: -206.490
Base-Backbone interact. energy: 0.775
local terms energy: -280.202580
where:
bonds (distance) C4'-P energy: -67.176
bonds (distance) P-C4' energy: -72.234
flat angles C4'-P-C4' energy: -60.805
flat angles P-C4'-P energy: -38.104
tors. eta vs tors. theta energy: -41.883
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: 10
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -506.365062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.365062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.365062 (E_RNA)
where:
Base-Base interactions energy: -251.622
where: short stacking energy: -152.208
Base-Backbone interact. energy: -0.148
local terms energy: -254.595530
where:
bonds (distance) C4'-P energy: -58.038
bonds (distance) P-C4' energy: -66.420
flat angles C4'-P-C4' energy: -62.679
flat angles P-C4'-P energy: -44.458
tors. eta vs tors. theta energy: -23.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -411.167989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.167989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.167989 (E_RNA)
where:
Base-Base interactions energy: -198.370
where: short stacking energy: -115.567
Base-Backbone interact. energy: -0.952
local terms energy: -211.846113
where:
bonds (distance) C4'-P energy: -70.928
bonds (distance) P-C4' energy: -64.921
flat angles C4'-P-C4' energy: -39.945
flat angles P-C4'-P energy: -27.903
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: 10, replica: 8
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -367.638371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.638371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.638371 (E_RNA)
where:
Base-Base interactions energy: -162.575
where: short stacking energy: -98.576
Base-Backbone interact. energy: -1.197
local terms energy: -203.866543
where:
bonds (distance) C4'-P energy: -55.563
bonds (distance) P-C4' energy: -64.979
flat angles C4'-P-C4' energy: -51.191
flat angles P-C4'-P energy: -40.772
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: 1, replica: 7
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1208.644578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.644578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.644578 (E_RNA)
where:
Base-Base interactions energy: -828.591
where: short stacking energy: -351.210
Base-Backbone interact. energy: -1.832
local terms energy: -378.222473
where:
bonds (distance) C4'-P energy: -66.846
bonds (distance) P-C4' energy: -65.312
flat angles C4'-P-C4' energy: -87.647
flat angles P-C4'-P energy: -56.855
tors. eta vs tors. theta energy: -101.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1205.605063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.605063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.605063 (E_RNA)
where:
Base-Base interactions energy: -823.547
where: short stacking energy: -344.707
Base-Backbone interact. energy: -2.911
local terms energy: -379.146971
where:
bonds (distance) C4'-P energy: -69.669
bonds (distance) P-C4' energy: -65.517
flat angles C4'-P-C4' energy: -86.772
flat angles P-C4'-P energy: -55.350
tors. eta vs tors. theta energy: -101.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -1139.797347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.797347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.797347 (E_RNA)
where:
Base-Base interactions energy: -764.419
where: short stacking energy: -309.922
Base-Backbone interact. energy: -0.836
local terms energy: -374.542820
where:
bonds (distance) C4'-P energy: -73.584
bonds (distance) P-C4' energy: -74.217
flat angles C4'-P-C4' energy: -80.836
flat angles P-C4'-P energy: -51.574
tors. eta vs tors. theta energy: -94.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1027.739838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.739838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.739838 (E_RNA)
where:
Base-Base interactions energy: -678.825
where: short stacking energy: -286.229
Base-Backbone interact. energy: -0.452
local terms energy: -348.462553
where:
bonds (distance) C4'-P energy: -71.430
bonds (distance) P-C4' energy: -67.044
flat angles C4'-P-C4' energy: -81.811
flat angles P-C4'-P energy: -46.404
tors. eta vs tors. theta energy: -81.774
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: 5
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -955.422776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.422776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.422776 (E_RNA)
where:
Base-Base interactions energy: -644.703
where: short stacking energy: -270.159
Base-Backbone interact. energy: 2.141
local terms energy: -312.860804
where:
bonds (distance) C4'-P energy: -68.707
bonds (distance) P-C4' energy: -64.931
flat angles C4'-P-C4' energy: -63.801
flat angles P-C4'-P energy: -49.931
tors. eta vs tors. theta energy: -65.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -940.802021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.802021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.802021 (E_RNA)
where:
Base-Base interactions energy: -644.617
where: short stacking energy: -244.787
Base-Backbone interact. energy: -1.318
local terms energy: -294.866781
where:
bonds (distance) C4'-P energy: -62.483
bonds (distance) P-C4' energy: -71.802
flat angles C4'-P-C4' energy: -63.439
flat angles P-C4'-P energy: -44.089
tors. eta vs tors. theta energy: -53.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -794.829346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.829346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.829346 (E_RNA)
where:
Base-Base interactions energy: -498.424
where: short stacking energy: -217.150
Base-Backbone interact. energy: -1.409
local terms energy: -294.996168
where:
bonds (distance) C4'-P energy: -56.367
bonds (distance) P-C4' energy: -60.713
flat angles C4'-P-C4' energy: -64.289
flat angles P-C4'-P energy: -49.393
tors. eta vs tors. theta energy: -64.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -557.967447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.967447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.967447 (E_RNA)
where:
Base-Base interactions energy: -321.195
where: short stacking energy: -150.811
Base-Backbone interact. energy: -0.160
local terms energy: -236.612819
where:
bonds (distance) C4'-P energy: -57.964
bonds (distance) P-C4' energy: -72.601
flat angles C4'-P-C4' energy: -47.575
flat angles P-C4'-P energy: -33.172
tors. eta vs tors. theta energy: -25.301
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: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -372.553344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.553344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.553344 (E_RNA)
where:
Base-Base interactions energy: -157.105
where: short stacking energy: -110.659
Base-Backbone interact. energy: -1.242
local terms energy: -214.205894
where:
bonds (distance) C4'-P energy: -53.632
bonds (distance) P-C4' energy: -66.593
flat angles C4'-P-C4' energy: -64.693
flat angles P-C4'-P energy: -30.017
tors. eta vs tors. theta energy: 0.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -336.780892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.780892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.780892 (E_RNA)
where:
Base-Base interactions energy: -121.122
where: short stacking energy: -77.207
Base-Backbone interact. energy: -0.857
local terms energy: -214.802290
where:
bonds (distance) C4'-P energy: -65.680
bonds (distance) P-C4' energy: -71.220
flat angles C4'-P-C4' energy: -52.881
flat angles P-C4'-P energy: -36.051
tors. eta vs tors. theta energy: 11.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1211.019593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.019593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.019593 (E_RNA)
where:
Base-Base interactions energy: -808.062
where: short stacking energy: -335.205
Base-Backbone interact. energy: -3.659
local terms energy: -399.298116
where:
bonds (distance) C4'-P energy: -78.275
bonds (distance) P-C4' energy: -84.383
flat angles C4'-P-C4' energy: -86.132
flat angles P-C4'-P energy: -50.562
tors. eta vs tors. theta energy: -99.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1208.820743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.820743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.820743 (E_RNA)
where:
Base-Base interactions energy: -815.802
where: short stacking energy: -362.926
Base-Backbone interact. energy: -1.026
local terms energy: -391.993122
where:
bonds (distance) C4'-P energy: -78.719
bonds (distance) P-C4' energy: -63.877
flat angles C4'-P-C4' energy: -82.962
flat angles P-C4'-P energy: -57.612
tors. eta vs tors. theta energy: -108.823
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: 3
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -1072.763730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.763730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.763730 (E_RNA)
where:
Base-Base interactions energy: -704.165
where: short stacking energy: -285.709
Base-Backbone interact. energy: -2.210
local terms energy: -366.388034
where:
bonds (distance) C4'-P energy: -73.582
bonds (distance) P-C4' energy: -63.843
flat angles C4'-P-C4' energy: -86.743
flat angles P-C4'-P energy: -62.392
tors. eta vs tors. theta energy: -79.827
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: 5
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -982.775484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.775484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.775484 (E_RNA)
where:
Base-Base interactions energy: -663.587
where: short stacking energy: -270.355
Base-Backbone interact. energy: -2.770
local terms energy: -316.418046
where:
bonds (distance) C4'-P energy: -64.939
bonds (distance) P-C4' energy: -63.859
flat angles C4'-P-C4' energy: -69.029
flat angles P-C4'-P energy: -50.788
tors. eta vs tors. theta energy: -67.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -963.281324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.281324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.281324 (E_RNA)
where:
Base-Base interactions energy: -636.112
where: short stacking energy: -258.009
Base-Backbone interact. energy: 1.253
local terms energy: -328.422107
where:
bonds (distance) C4'-P energy: -65.135
bonds (distance) P-C4' energy: -71.553
flat angles C4'-P-C4' energy: -69.498
flat angles P-C4'-P energy: -50.396
tors. eta vs tors. theta energy: -71.840
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: 9
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -922.194399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.194399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.194399 (E_RNA)
where:
Base-Base interactions energy: -623.353
where: short stacking energy: -261.577
Base-Backbone interact. energy: 0.592
local terms energy: -299.432628
where:
bonds (distance) C4'-P energy: -68.682
bonds (distance) P-C4' energy: -61.870
flat angles C4'-P-C4' energy: -63.226
flat angles P-C4'-P energy: -41.137
tors. eta vs tors. theta energy: -64.518
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: 4
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -757.504645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.504645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.504645 (E_RNA)
where:
Base-Base interactions energy: -461.659
where: short stacking energy: -209.213
Base-Backbone interact. energy: 4.359
local terms energy: -300.205172
where:
bonds (distance) C4'-P energy: -54.856
bonds (distance) P-C4' energy: -70.216
flat angles C4'-P-C4' energy: -64.787
flat angles P-C4'-P energy: -58.150
tors. eta vs tors. theta energy: -52.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -563.271966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.271966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.271966 (E_RNA)
where:
Base-Base interactions energy: -290.987
where: short stacking energy: -149.237
Base-Backbone interact. energy: 1.291
local terms energy: -273.576009
where:
bonds (distance) C4'-P energy: -65.632
bonds (distance) P-C4' energy: -76.827
flat angles C4'-P-C4' energy: -63.925
flat angles P-C4'-P energy: -43.347
tors. eta vs tors. theta energy: -23.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -374.977089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.977089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.977089 (E_RNA)
where:
Base-Base interactions energy: -166.110
where: short stacking energy: -93.248
Base-Backbone interact. energy: -2.726
local terms energy: -206.140920
where:
bonds (distance) C4'-P energy: -59.730
bonds (distance) P-C4' energy: -64.295
flat angles C4'-P-C4' energy: -52.086
flat angles P-C4'-P energy: -33.779
tors. eta vs tors. theta energy: 3.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -301.247898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.247898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.247898 (E_RNA)
where:
Base-Base interactions energy: -124.689
where: short stacking energy: -95.427
Base-Backbone interact. energy: 3.208
local terms energy: -179.767302
where:
bonds (distance) C4'-P energy: -56.885
bonds (distance) P-C4' energy: -40.695
flat angles C4'-P-C4' energy: -48.638
flat angles P-C4'-P energy: -39.462
tors. eta vs tors. theta energy: 5.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1237.026480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.026480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.026480 (E_RNA)
where:
Base-Base interactions energy: -855.870
where: short stacking energy: -376.348
Base-Backbone interact. energy: -1.130
local terms energy: -380.025530
where:
bonds (distance) C4'-P energy: -56.994
bonds (distance) P-C4' energy: -67.489
flat angles C4'-P-C4' energy: -84.199
flat angles P-C4'-P energy: -57.384
tors. eta vs tors. theta energy: -113.960
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: 7
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1152.372505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.372505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.372505 (E_RNA)
where:
Base-Base interactions energy: -775.970
where: short stacking energy: -334.983
Base-Backbone interact. energy: -1.221
local terms energy: -375.181567
where:
bonds (distance) C4'-P energy: -67.773
bonds (distance) P-C4' energy: -69.843
flat angles C4'-P-C4' energy: -75.297
flat angles P-C4'-P energy: -57.200
tors. eta vs tors. theta energy: -105.068
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: 3, replica: 3
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1079.969413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.969413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.969413 (E_RNA)
where:
Base-Base interactions energy: -748.905
where: short stacking energy: -307.815
Base-Backbone interact. energy: 0.023
local terms energy: -331.087548
where:
bonds (distance) C4'-P energy: -69.413
bonds (distance) P-C4' energy: -61.057
flat angles C4'-P-C4' energy: -73.105
flat angles P-C4'-P energy: -42.786
tors. eta vs tors. theta energy: -84.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -985.195587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.195587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.195587 (E_RNA)
where:
Base-Base interactions energy: -648.593
where: short stacking energy: -262.582
Base-Backbone interact. energy: -2.360
local terms energy: -334.241923
where:
bonds (distance) C4'-P energy: -74.598
bonds (distance) P-C4' energy: -71.570
flat angles C4'-P-C4' energy: -68.388
flat angles P-C4'-P energy: -53.758
tors. eta vs tors. theta energy: -65.928
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: 128
Temperature: 1.100000
Total energy: -973.095684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.095684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.095684 (E_RNA)
where:
Base-Base interactions energy: -642.796
where: short stacking energy: -263.958
Base-Backbone interact. energy: -2.168
local terms energy: -328.131109
where:
bonds (distance) C4'-P energy: -71.404
bonds (distance) P-C4' energy: -70.975
flat angles C4'-P-C4' energy: -71.279
flat angles P-C4'-P energy: -41.455
tors. eta vs tors. theta energy: -73.019
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: 9
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -942.873569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.873569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.873569 (E_RNA)
where:
Base-Base interactions energy: -609.553
where: short stacking energy: -243.641
Base-Backbone interact. energy: -1.797
local terms energy: -331.523603
where:
bonds (distance) C4'-P energy: -71.364
bonds (distance) P-C4' energy: -70.910
flat angles C4'-P-C4' energy: -77.725
flat angles P-C4'-P energy: -52.581
tors. eta vs tors. theta energy: -58.944
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: 4
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -730.107985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.107985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.107985 (E_RNA)
where:
Base-Base interactions energy: -459.379
where: short stacking energy: -225.477
Base-Backbone interact. energy: -1.084
local terms energy: -269.645045
where:
bonds (distance) C4'-P energy: -68.176
bonds (distance) P-C4' energy: -59.607
flat angles C4'-P-C4' energy: -66.497
flat angles P-C4'-P energy: -39.959
tors. eta vs tors. theta energy: -35.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -590.298962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.298962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.298962 (E_RNA)
where:
Base-Base interactions energy: -344.448
where: short stacking energy: -175.942
Base-Backbone interact. energy: -1.314
local terms energy: -244.536408
where:
bonds (distance) C4'-P energy: -65.634
bonds (distance) P-C4' energy: -80.064
flat angles C4'-P-C4' energy: -48.435
flat angles P-C4'-P energy: -33.809
tors. eta vs tors. theta energy: -16.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -399.490557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.490557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.490557 (E_RNA)
where:
Base-Base interactions energy: -183.497
where: short stacking energy: -105.105
Base-Backbone interact. energy: -3.589
local terms energy: -212.404365
where:
bonds (distance) C4'-P energy: -64.368
bonds (distance) P-C4' energy: -69.543
flat angles C4'-P-C4' energy: -58.193
flat angles P-C4'-P energy: -15.535
tors. eta vs tors. theta energy: -4.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -292.142991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.142991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.142991 (E_RNA)
where:
Base-Base interactions energy: -96.005
where: short stacking energy: -91.092
Base-Backbone interact. energy: 0.948
local terms energy: -197.086346
where:
bonds (distance) C4'-P energy: -53.882
bonds (distance) P-C4' energy: -57.128
flat angles C4'-P-C4' energy: -55.417
flat angles P-C4'-P energy: -26.308
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: 1, replica: 1
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1242.119359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.119359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.119359 (E_RNA)
where:
Base-Base interactions energy: -852.076
where: short stacking energy: -366.342
Base-Backbone interact. energy: -3.353
local terms energy: -386.689800
where:
bonds (distance) C4'-P energy: -68.206
bonds (distance) P-C4' energy: -70.937
flat angles C4'-P-C4' energy: -85.515
flat angles P-C4'-P energy: -46.013
tors. eta vs tors. theta energy: -116.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1145.319784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.319784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.319784 (E_RNA)
where:
Base-Base interactions energy: -775.866
where: short stacking energy: -315.925
Base-Backbone interact. energy: -1.268
local terms energy: -368.185750
where:
bonds (distance) C4'-P energy: -73.908
bonds (distance) P-C4' energy: -67.486
flat angles C4'-P-C4' energy: -83.657
flat angles P-C4'-P energy: -54.650
tors. eta vs tors. theta energy: -88.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1103.358335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.358335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.358335 (E_RNA)
where:
Base-Base interactions energy: -744.036
where: short stacking energy: -322.528
Base-Backbone interact. energy: -0.370
local terms energy: -358.952791
where:
bonds (distance) C4'-P energy: -66.053
bonds (distance) P-C4' energy: -75.256
flat angles C4'-P-C4' energy: -78.725
flat angles P-C4'-P energy: -50.292
tors. eta vs tors. theta energy: -88.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1011.972059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.972059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.972059 (E_RNA)
where:
Base-Base interactions energy: -682.554
where: short stacking energy: -305.171
Base-Backbone interact. energy: -1.483
local terms energy: -327.934535
where:
bonds (distance) C4'-P energy: -69.048
bonds (distance) P-C4' energy: -60.958
flat angles C4'-P-C4' energy: -75.784
flat angles P-C4'-P energy: -44.588
tors. eta vs tors. theta energy: -77.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -962.294954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.294954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.294954 (E_RNA)
where:
Base-Base interactions energy: -641.191
where: short stacking energy: -249.081
Base-Backbone interact. energy: 0.177
local terms energy: -321.281743
where:
bonds (distance) C4'-P energy: -64.999
bonds (distance) P-C4' energy: -67.821
flat angles C4'-P-C4' energy: -73.295
flat angles P-C4'-P energy: -46.703
tors. eta vs tors. theta energy: -68.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -961.276058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.276058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.276058 (E_RNA)
where:
Base-Base interactions energy: -655.239
where: short stacking energy: -263.827
Base-Backbone interact. energy: -1.531
local terms energy: -304.506129
where:
bonds (distance) C4'-P energy: -66.708
bonds (distance) P-C4' energy: -51.248
flat angles C4'-P-C4' energy: -70.657
flat angles P-C4'-P energy: -41.925
tors. eta vs tors. theta energy: -73.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -786.180766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.180766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.180766 (E_RNA)
where:
Base-Base interactions energy: -502.613
where: short stacking energy: -227.685
Base-Backbone interact. energy: -2.166
local terms energy: -281.401385
where:
bonds (distance) C4'-P energy: -54.771
bonds (distance) P-C4' energy: -67.078
flat angles C4'-P-C4' energy: -71.696
flat angles P-C4'-P energy: -28.474
tors. eta vs tors. theta energy: -59.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -610.330806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.330806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.330806 (E_RNA)
where:
Base-Base interactions energy: -361.284
where: short stacking energy: -170.048
Base-Backbone interact. energy: -1.099
local terms energy: -247.947812
where:
bonds (distance) C4'-P energy: -59.799
bonds (distance) P-C4' energy: -58.944
flat angles C4'-P-C4' energy: -65.501
flat angles P-C4'-P energy: -34.736
tors. eta vs tors. theta energy: -28.967
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: 129
Temperature: 1.300000
Total energy: -373.611501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.611501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.611501 (E_RNA)
where:
Base-Base interactions energy: -168.481
where: short stacking energy: -99.778
Base-Backbone interact. energy: -0.139
local terms energy: -204.991927
where:
bonds (distance) C4'-P energy: -69.523
bonds (distance) P-C4' energy: -45.002
flat angles C4'-P-C4' energy: -59.317
flat angles P-C4'-P energy: -32.574
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: 6
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -281.653991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.653991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.653991 (E_RNA)
where:
Base-Base interactions energy: -84.813
where: short stacking energy: -77.063
Base-Backbone interact. energy: -0.601
local terms energy: -196.240141
where:
bonds (distance) C4'-P energy: -50.211
bonds (distance) P-C4' energy: -58.414
flat angles C4'-P-C4' energy: -54.389
flat angles P-C4'-P energy: -42.541
tors. eta vs tors. theta energy: 9.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1218.331307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.331307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.331307 (E_RNA)
where:
Base-Base interactions energy: -814.889
where: short stacking energy: -363.065
Base-Backbone interact. energy: -1.494
local terms energy: -401.947919
where:
bonds (distance) C4'-P energy: -58.798
bonds (distance) P-C4' energy: -71.023
flat angles C4'-P-C4' energy: -89.321
flat angles P-C4'-P energy: -66.496
tors. eta vs tors. theta energy: -116.309
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: 7
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1164.978052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.978052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.978052 (E_RNA)
where:
Base-Base interactions energy: -801.556
where: short stacking energy: -338.671
Base-Backbone interact. energy: -1.983
local terms energy: -361.439916
where:
bonds (distance) C4'-P energy: -65.699
bonds (distance) P-C4' energy: -74.592
flat angles C4'-P-C4' energy: -75.889
flat angles P-C4'-P energy: -53.987
tors. eta vs tors. theta energy: -91.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1102.750493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.750493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.750493 (E_RNA)
where:
Base-Base interactions energy: -741.028
where: short stacking energy: -327.949
Base-Backbone interact. energy: -0.331
local terms energy: -361.390978
where:
bonds (distance) C4'-P energy: -64.161
bonds (distance) P-C4' energy: -70.177
flat angles C4'-P-C4' energy: -81.574
flat angles P-C4'-P energy: -54.144
tors. eta vs tors. theta energy: -91.335
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: 2
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1033.564042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.564042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.564042 (E_RNA)
where:
Base-Base interactions energy: -687.224
where: short stacking energy: -295.233
Base-Backbone interact. energy: -2.260
local terms energy: -344.080122
where:
bonds (distance) C4'-P energy: -65.537
bonds (distance) P-C4' energy: -70.518
flat angles C4'-P-C4' energy: -72.785
flat angles P-C4'-P energy: -48.325
tors. eta vs tors. theta energy: -86.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1001.550026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.550026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.550026 (E_RNA)
where:
Base-Base interactions energy: -675.337
where: short stacking energy: -272.098
Base-Backbone interact. energy: -1.977
local terms energy: -324.236134
where:
bonds (distance) C4'-P energy: -63.262
bonds (distance) P-C4' energy: -60.877
flat angles C4'-P-C4' energy: -77.114
flat angles P-C4'-P energy: -45.148
tors. eta vs tors. theta energy: -77.835
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: 5
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -902.391886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.391886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.391886 (E_RNA)
where:
Base-Base interactions energy: -597.748
where: short stacking energy: -246.915
Base-Backbone interact. energy: -3.046
local terms energy: -301.597573
where:
bonds (distance) C4'-P energy: -61.579
bonds (distance) P-C4' energy: -69.013
flat angles C4'-P-C4' energy: -67.718
flat angles P-C4'-P energy: -46.442
tors. eta vs tors. theta energy: -56.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -779.777298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.777298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.777298 (E_RNA)
where:
Base-Base interactions energy: -483.920
where: short stacking energy: -218.884
Base-Backbone interact. energy: -1.063
local terms energy: -294.793918
where:
bonds (distance) C4'-P energy: -68.443
bonds (distance) P-C4' energy: -67.167
flat angles C4'-P-C4' energy: -56.366
flat angles P-C4'-P energy: -49.303
tors. eta vs tors. theta energy: -53.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -640.749771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.749771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.749771 (E_RNA)
where:
Base-Base interactions energy: -384.582
where: short stacking energy: -191.711
Base-Backbone interact. energy: 0.042
local terms energy: -256.209608
where:
bonds (distance) C4'-P energy: -68.754
bonds (distance) P-C4' energy: -62.868
flat angles C4'-P-C4' energy: -53.285
flat angles P-C4'-P energy: -28.825
tors. eta vs tors. theta energy: -42.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -393.141480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.141480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.141480 (E_RNA)
where:
Base-Base interactions energy: -165.492
where: short stacking energy: -97.529
Base-Backbone interact. energy: -0.664
local terms energy: -226.985257
where:
bonds (distance) C4'-P energy: -65.467
bonds (distance) P-C4' energy: -66.102
flat angles C4'-P-C4' energy: -52.145
flat angles P-C4'-P energy: -37.561
tors. eta vs tors. theta energy: -5.711
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: 130
Temperature: 1.350000
Total energy: -287.139563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.139563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.139563 (E_RNA)
where:
Base-Base interactions energy: -112.981
where: short stacking energy: -84.076
Base-Backbone interact. energy: -1.090
local terms energy: -173.068344
where:
bonds (distance) C4'-P energy: -61.721
bonds (distance) P-C4' energy: -44.546
flat angles C4'-P-C4' energy: -58.993
flat angles P-C4'-P energy: -28.878
tors. eta vs tors. theta energy: 21.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1236.770612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.770612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.770612 (E_RNA)
where:
Base-Base interactions energy: -817.416
where: short stacking energy: -353.161
Base-Backbone interact. energy: -2.536
local terms energy: -416.818378
where:
bonds (distance) C4'-P energy: -72.862
bonds (distance) P-C4' energy: -72.739
flat angles C4'-P-C4' energy: -95.376
flat angles P-C4'-P energy: -65.730
tors. eta vs tors. theta energy: -110.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1177.752842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.752842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.752842 (E_RNA)
where:
Base-Base interactions energy: -810.575
where: short stacking energy: -331.992
Base-Backbone interact. energy: -1.198
local terms energy: -365.980308
where:
bonds (distance) C4'-P energy: -65.062
bonds (distance) P-C4' energy: -72.921
flat angles C4'-P-C4' energy: -85.492
flat angles P-C4'-P energy: -49.401
tors. eta vs tors. theta energy: -93.104
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: 3
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1123.553842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.553842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.553842 (E_RNA)
where:
Base-Base interactions energy: -764.012
where: short stacking energy: -342.354
Base-Backbone interact. energy: -1.696
local terms energy: -357.846275
where:
bonds (distance) C4'-P energy: -63.149
bonds (distance) P-C4' energy: -67.147
flat angles C4'-P-C4' energy: -89.214
flat angles P-C4'-P energy: -46.736
tors. eta vs tors. theta energy: -91.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1054.306972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.306972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.306972 (E_RNA)
where:
Base-Base interactions energy: -707.859
where: short stacking energy: -288.606
Base-Backbone interact. energy: -0.798
local terms energy: -345.650043
where:
bonds (distance) C4'-P energy: -59.070
bonds (distance) P-C4' energy: -74.827
flat angles C4'-P-C4' energy: -73.752
flat angles P-C4'-P energy: -55.808
tors. eta vs tors. theta energy: -82.194
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: 2
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1007.265006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.265006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.265006 (E_RNA)
where:
Base-Base interactions energy: -684.832
where: short stacking energy: -280.536
Base-Backbone interact. energy: 0.452
local terms energy: -322.885845
where:
bonds (distance) C4'-P energy: -60.631
bonds (distance) P-C4' energy: -73.690
flat angles C4'-P-C4' energy: -81.317
flat angles P-C4'-P energy: -34.466
tors. eta vs tors. theta energy: -72.780
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: 5
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -910.608469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.608469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.608469 (E_RNA)
where:
Base-Base interactions energy: -612.305
where: short stacking energy: -257.619
Base-Backbone interact. energy: 1.269
local terms energy: -299.571665
where:
bonds (distance) C4'-P energy: -50.555
bonds (distance) P-C4' energy: -68.938
flat angles C4'-P-C4' energy: -74.619
flat angles P-C4'-P energy: -43.580
tors. eta vs tors. theta energy: -61.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -751.527945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.527945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.527945 (E_RNA)
where:
Base-Base interactions energy: -458.059
where: short stacking energy: -194.627
Base-Backbone interact. energy: -0.727
local terms energy: -292.742433
where:
bonds (distance) C4'-P energy: -56.465
bonds (distance) P-C4' energy: -82.250
flat angles C4'-P-C4' energy: -69.800
flat angles P-C4'-P energy: -41.210
tors. eta vs tors. theta energy: -43.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -661.297151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.297151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.297151 (E_RNA)
where:
Base-Base interactions energy: -389.527
where: short stacking energy: -201.318
Base-Backbone interact. energy: -1.451
local terms energy: -270.319229
where:
bonds (distance) C4'-P energy: -56.603
bonds (distance) P-C4' energy: -52.931
flat angles C4'-P-C4' energy: -71.835
flat angles P-C4'-P energy: -42.306
tors. eta vs tors. theta energy: -46.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -402.632506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.632506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.632506 (E_RNA)
where:
Base-Base interactions energy: -200.766
where: short stacking energy: -97.082
Base-Backbone interact. energy: -0.594
local terms energy: -201.271999
where:
bonds (distance) C4'-P energy: -66.661
bonds (distance) P-C4' energy: -69.161
flat angles C4'-P-C4' energy: -57.360
flat angles P-C4'-P energy: -15.350
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: 10, replica: 6
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -290.626583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.626583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.626583 (E_RNA)
where:
Base-Base interactions energy: -78.403
where: short stacking energy: -58.474
Base-Backbone interact. energy: -2.701
local terms energy: -209.522571
where:
bonds (distance) C4'-P energy: -68.135
bonds (distance) P-C4' energy: -68.892
flat angles C4'-P-C4' energy: -54.439
flat angles P-C4'-P energy: -26.014
tors. eta vs tors. theta energy: 7.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1234.155707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.155707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.155707 (E_RNA)
where:
Base-Base interactions energy: -825.228
where: short stacking energy: -359.330
Base-Backbone interact. energy: -1.093
local terms energy: -407.834675
where:
bonds (distance) C4'-P energy: -68.915
bonds (distance) P-C4' energy: -79.436
flat angles C4'-P-C4' energy: -83.906
flat angles P-C4'-P energy: -53.118
tors. eta vs tors. theta energy: -122.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1161.550491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.550491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.550491 (E_RNA)
where:
Base-Base interactions energy: -782.389
where: short stacking energy: -326.267
Base-Backbone interact. energy: -2.906
local terms energy: -376.255419
where:
bonds (distance) C4'-P energy: -71.712
bonds (distance) P-C4' energy: -70.426
flat angles C4'-P-C4' energy: -84.803
flat angles P-C4'-P energy: -59.585
tors. eta vs tors. theta energy: -89.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1078.602364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.602364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.602364 (E_RNA)
where:
Base-Base interactions energy: -719.157
where: short stacking energy: -315.974
Base-Backbone interact. energy: -1.594
local terms energy: -357.851271
where:
bonds (distance) C4'-P energy: -67.374
bonds (distance) P-C4' energy: -71.744
flat angles C4'-P-C4' energy: -77.726
flat angles P-C4'-P energy: -52.701
tors. eta vs tors. theta energy: -88.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1064.260964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.260964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.260964 (E_RNA)
where:
Base-Base interactions energy: -727.984
where: short stacking energy: -305.872
Base-Backbone interact. energy: -1.533
local terms energy: -334.743701
where:
bonds (distance) C4'-P energy: -65.169
bonds (distance) P-C4' energy: -59.071
flat angles C4'-P-C4' energy: -77.832
flat angles P-C4'-P energy: -46.721
tors. eta vs tors. theta energy: -85.951
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: 2
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -973.485170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.485170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.485170 (E_RNA)
where:
Base-Base interactions energy: -648.126
where: short stacking energy: -279.129
Base-Backbone interact. energy: 3.624
local terms energy: -328.983769
where:
bonds (distance) C4'-P energy: -69.983
bonds (distance) P-C4' energy: -71.233
flat angles C4'-P-C4' energy: -75.069
flat angles P-C4'-P energy: -45.542
tors. eta vs tors. theta energy: -67.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -943.351805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.351805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.351805 (E_RNA)
where:
Base-Base interactions energy: -636.306
where: short stacking energy: -263.447
Base-Backbone interact. energy: -2.618
local terms energy: -304.428215
where:
bonds (distance) C4'-P energy: -55.200
bonds (distance) P-C4' energy: -65.980
flat angles C4'-P-C4' energy: -76.987
flat angles P-C4'-P energy: -37.871
tors. eta vs tors. theta energy: -68.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -779.926078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.926078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.926078 (E_RNA)
where:
Base-Base interactions energy: -496.720
where: short stacking energy: -245.370
Base-Backbone interact. energy: -1.916
local terms energy: -281.289913
where:
bonds (distance) C4'-P energy: -58.846
bonds (distance) P-C4' energy: -66.590
flat angles C4'-P-C4' energy: -60.440
flat angles P-C4'-P energy: -40.037
tors. eta vs tors. theta energy: -55.377
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: 8, replica: 10
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -601.791072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.791072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.791072 (E_RNA)
where:
Base-Base interactions energy: -365.058
where: short stacking energy: -169.025
Base-Backbone interact. energy: 1.763
local terms energy: -238.496141
where:
bonds (distance) C4'-P energy: -55.155
bonds (distance) P-C4' energy: -64.687
flat angles C4'-P-C4' energy: -56.690
flat angles P-C4'-P energy: -39.877
tors. eta vs tors. theta energy: -22.089
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: 8
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -404.300836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.300836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.300836 (E_RNA)
where:
Base-Base interactions energy: -192.509
where: short stacking energy: -114.958
Base-Backbone interact. energy: 0.166
local terms energy: -211.957965
where:
bonds (distance) C4'-P energy: -62.950
bonds (distance) P-C4' energy: -58.350
flat angles C4'-P-C4' energy: -47.312
flat angles P-C4'-P energy: -38.642
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: 10, replica: 6
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -284.716186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.716186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.716186 (E_RNA)
where:
Base-Base interactions energy: -82.241
where: short stacking energy: -66.243
Base-Backbone interact. energy: 0.995
local terms energy: -203.469534
where:
bonds (distance) C4'-P energy: -66.653
bonds (distance) P-C4' energy: -70.653
flat angles C4'-P-C4' energy: -46.074
flat angles P-C4'-P energy: -27.034
tors. eta vs tors. theta energy: 6.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1242.694155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.694155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.694155 (E_RNA)
where:
Base-Base interactions energy: -824.427
where: short stacking energy: -367.999
Base-Backbone interact. energy: -2.029
local terms energy: -416.237574
where:
bonds (distance) C4'-P energy: -79.940
bonds (distance) P-C4' energy: -79.286
flat angles C4'-P-C4' energy: -90.805
flat angles P-C4'-P energy: -50.718
tors. eta vs tors. theta energy: -115.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1187.038836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.038836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.038836 (E_RNA)
where:
Base-Base interactions energy: -825.757
where: short stacking energy: -343.850
Base-Backbone interact. energy: -2.841
local terms energy: -358.441281
where:
bonds (distance) C4'-P energy: -71.265
bonds (distance) P-C4' energy: -72.082
flat angles C4'-P-C4' energy: -74.208
flat angles P-C4'-P energy: -46.022
tors. eta vs tors. theta energy: -94.864
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: 3, replica: 9
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1130.745011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.745011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.745011 (E_RNA)
where:
Base-Base interactions energy: -759.359
where: short stacking energy: -327.450
Base-Backbone interact. energy: -1.181
local terms energy: -370.204952
where:
bonds (distance) C4'-P energy: -62.429
bonds (distance) P-C4' energy: -78.914
flat angles C4'-P-C4' energy: -87.634
flat angles P-C4'-P energy: -51.578
tors. eta vs tors. theta energy: -89.649
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: 4, replica: 3
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -1091.092550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.092550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.092550 (E_RNA)
where:
Base-Base interactions energy: -728.686
where: short stacking energy: -312.252
Base-Backbone interact. energy: -1.742
local terms energy: -360.663819
where:
bonds (distance) C4'-P energy: -63.652
bonds (distance) P-C4' energy: -70.511
flat angles C4'-P-C4' energy: -78.059
flat angles P-C4'-P energy: -54.018
tors. eta vs tors. theta energy: -94.424
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: 2
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -991.204338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.204338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.204338 (E_RNA)
where:
Base-Base interactions energy: -673.345
where: short stacking energy: -280.916
Base-Backbone interact. energy: -0.599
local terms energy: -317.260486
where:
bonds (distance) C4'-P energy: -64.954
bonds (distance) P-C4' energy: -66.718
flat angles C4'-P-C4' energy: -72.530
flat angles P-C4'-P energy: -45.131
tors. eta vs tors. theta energy: -67.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -928.110842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.110842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.110842 (E_RNA)
where:
Base-Base interactions energy: -618.243
where: short stacking energy: -255.441
Base-Backbone interact. energy: -1.411
local terms energy: -308.457550
where:
bonds (distance) C4'-P energy: -55.175
bonds (distance) P-C4' energy: -58.210
flat angles C4'-P-C4' energy: -74.738
flat angles P-C4'-P energy: -51.425
tors. eta vs tors. theta energy: -68.909
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: 4
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -779.320116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.320116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.320116 (E_RNA)
where:
Base-Base interactions energy: -490.150
where: short stacking energy: -214.520
Base-Backbone interact. energy: -1.675
local terms energy: -287.494712
where:
bonds (distance) C4'-P energy: -61.519
bonds (distance) P-C4' energy: -68.636
flat angles C4'-P-C4' energy: -64.720
flat angles P-C4'-P energy: -46.977
tors. eta vs tors. theta energy: -45.644
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: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -654.935324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.935324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.935324 (E_RNA)
where:
Base-Base interactions energy: -391.417
where: short stacking energy: -185.173
Base-Backbone interact. energy: -1.157
local terms energy: -262.361663
where:
bonds (distance) C4'-P energy: -56.835
bonds (distance) P-C4' energy: -59.102
flat angles C4'-P-C4' energy: -71.613
flat angles P-C4'-P energy: -26.302
tors. eta vs tors. theta energy: -48.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -365.529308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.529308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.529308 (E_RNA)
where:
Base-Base interactions energy: -170.401
where: short stacking energy: -98.116
Base-Backbone interact. energy: -0.391
local terms energy: -194.736893
where:
bonds (distance) C4'-P energy: -47.080
bonds (distance) P-C4' energy: -55.277
flat angles C4'-P-C4' energy: -47.998
flat angles P-C4'-P energy: -49.321
tors. eta vs tors. theta energy: 4.939
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: 6
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -298.015913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.015913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.015913 (E_RNA)
where:
Base-Base interactions energy: -111.649
where: short stacking energy: -64.966
Base-Backbone interact. energy: 3.972
local terms energy: -190.338945
where:
bonds (distance) C4'-P energy: -62.050
bonds (distance) P-C4' energy: -72.236
flat angles C4'-P-C4' energy: -46.220
flat angles P-C4'-P energy: -19.964
tors. eta vs tors. theta energy: 10.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1239.318050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.318050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.318050 (E_RNA)
where:
Base-Base interactions energy: -838.608
where: short stacking energy: -366.450
Base-Backbone interact. energy: -2.509
local terms energy: -398.200714
where:
bonds (distance) C4'-P energy: -67.941
bonds (distance) P-C4' energy: -81.759
flat angles C4'-P-C4' energy: -84.770
flat angles P-C4'-P energy: -55.646
tors. eta vs tors. theta energy: -108.084
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: 7
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1182.912181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.912181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.912181 (E_RNA)
where:
Base-Base interactions energy: -799.846
where: short stacking energy: -325.375
Base-Backbone interact. energy: 2.605
local terms energy: -385.672031
where:
bonds (distance) C4'-P energy: -73.337
bonds (distance) P-C4' energy: -74.882
flat angles C4'-P-C4' energy: -78.983
flat angles P-C4'-P energy: -55.856
tors. eta vs tors. theta energy: -102.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1126.215540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.215540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.215540 (E_RNA)
where:
Base-Base interactions energy: -775.118
where: short stacking energy: -340.479
Base-Backbone interact. energy: -1.456
local terms energy: -349.641259
where:
bonds (distance) C4'-P energy: -73.365
bonds (distance) P-C4' energy: -64.972
flat angles C4'-P-C4' energy: -77.793
flat angles P-C4'-P energy: -45.003
tors. eta vs tors. theta energy: -88.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1114.703940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.703940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.703940 (E_RNA)
where:
Base-Base interactions energy: -748.537
where: short stacking energy: -324.274
Base-Backbone interact. energy: 1.783
local terms energy: -367.949371
where:
bonds (distance) C4'-P energy: -62.445
bonds (distance) P-C4' energy: -75.703
flat angles C4'-P-C4' energy: -80.376
flat angles P-C4'-P energy: -49.156
tors. eta vs tors. theta energy: -100.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -986.662272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.662272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.662272 (E_RNA)
where:
Base-Base interactions energy: -680.885
where: short stacking energy: -265.422
Base-Backbone interact. energy: -2.740
local terms energy: -303.036722
where:
bonds (distance) C4'-P energy: -57.882
bonds (distance) P-C4' energy: -70.212
flat angles C4'-P-C4' energy: -63.297
flat angles P-C4'-P energy: -40.921
tors. eta vs tors. theta energy: -70.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -920.890069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.890069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.890069 (E_RNA)
where:
Base-Base interactions energy: -585.139
where: short stacking energy: -242.223
Base-Backbone interact. energy: -0.050
local terms energy: -335.701685
where:
bonds (distance) C4'-P energy: -71.549
bonds (distance) P-C4' energy: -79.618
flat angles C4'-P-C4' energy: -65.812
flat angles P-C4'-P energy: -46.040
tors. eta vs tors. theta energy: -72.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -744.230543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.230543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.230543 (E_RNA)
where:
Base-Base interactions energy: -481.584
where: short stacking energy: -222.626
Base-Backbone interact. energy: -0.076
local terms energy: -262.570442
where:
bonds (distance) C4'-P energy: -65.052
bonds (distance) P-C4' energy: -51.637
flat angles C4'-P-C4' energy: -57.711
flat angles P-C4'-P energy: -32.654
tors. eta vs tors. theta energy: -55.518
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: 134
Temperature: 1.250000
Total energy: -720.007733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.007733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.007733 (E_RNA)
where:
Base-Base interactions energy: -453.256
where: short stacking energy: -194.328
Base-Backbone interact. energy: 1.346
local terms energy: -268.097429
where:
bonds (distance) C4'-P energy: -64.348
bonds (distance) P-C4' energy: -49.144
flat angles C4'-P-C4' energy: -63.409
flat angles P-C4'-P energy: -41.276
tors. eta vs tors. theta energy: -49.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -413.435246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.435246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.435246 (E_RNA)
where:
Base-Base interactions energy: -201.864
where: short stacking energy: -110.433
Base-Backbone interact. energy: 0.506
local terms energy: -212.077603
where:
bonds (distance) C4'-P energy: -64.020
bonds (distance) P-C4' energy: -66.966
flat angles C4'-P-C4' energy: -59.596
flat angles P-C4'-P energy: -30.504
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: 10, replica: 6
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -299.040405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.040405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.040405 (E_RNA)
where:
Base-Base interactions energy: -83.743
where: short stacking energy: -67.114
Base-Backbone interact. energy: 1.542
local terms energy: -216.840200
where:
bonds (distance) C4'-P energy: -54.424
bonds (distance) P-C4' energy: -76.852
flat angles C4'-P-C4' energy: -63.867
flat angles P-C4'-P energy: -32.916
tors. eta vs tors. theta energy: 11.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1234.081716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.081716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.081716 (E_RNA)
where:
Base-Base interactions energy: -820.315
where: short stacking energy: -379.391
Base-Backbone interact. energy: -3.184
local terms energy: -410.582592
where:
bonds (distance) C4'-P energy: -77.534
bonds (distance) P-C4' energy: -81.111
flat angles C4'-P-C4' energy: -82.122
flat angles P-C4'-P energy: -53.300
tors. eta vs tors. theta energy: -116.515
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: 135
Temperature: 0.950000
Total energy: -1169.587932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.587932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.587932 (E_RNA)
where:
Base-Base interactions energy: -809.024
where: short stacking energy: -334.177
Base-Backbone interact. energy: -1.401
local terms energy: -359.162317
where:
bonds (distance) C4'-P energy: -63.826
bonds (distance) P-C4' energy: -67.556
flat angles C4'-P-C4' energy: -76.495
flat angles P-C4'-P energy: -54.719
tors. eta vs tors. theta energy: -96.567
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: 3, replica: 3
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1129.577821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.577821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.577821 (E_RNA)
where:
Base-Base interactions energy: -772.796
where: short stacking energy: -312.390
Base-Backbone interact. energy: -0.528
local terms energy: -356.253420
where:
bonds (distance) C4'-P energy: -70.872
bonds (distance) P-C4' energy: -63.686
flat angles C4'-P-C4' energy: -81.178
flat angles P-C4'-P energy: -54.379
tors. eta vs tors. theta energy: -86.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1118.274705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.274705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.274705 (E_RNA)
where:
Base-Base interactions energy: -745.579
where: short stacking energy: -327.725
Base-Backbone interact. energy: -0.792
local terms energy: -371.903201
where:
bonds (distance) C4'-P energy: -70.093
bonds (distance) P-C4' energy: -65.756
flat angles C4'-P-C4' energy: -83.471
flat angles P-C4'-P energy: -53.200
tors. eta vs tors. theta energy: -99.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -1054.472026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.472026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.472026 (E_RNA)
where:
Base-Base interactions energy: -726.426
where: short stacking energy: -291.564
Base-Backbone interact. energy: 1.839
local terms energy: -329.884965
where:
bonds (distance) C4'-P energy: -65.127
bonds (distance) P-C4' energy: -69.768
flat angles C4'-P-C4' energy: -68.229
flat angles P-C4'-P energy: -56.607
tors. eta vs tors. theta energy: -70.154
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: 6, replica: 5
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -917.227737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.227737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.227737 (E_RNA)
where:
Base-Base interactions energy: -621.996
where: short stacking energy: -250.956
Base-Backbone interact. energy: -1.573
local terms energy: -293.658686
where:
bonds (distance) C4'-P energy: -49.181
bonds (distance) P-C4' energy: -60.882
flat angles C4'-P-C4' energy: -66.042
flat angles P-C4'-P energy: -52.671
tors. eta vs tors. theta energy: -64.883
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: 7, replica: 4
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -784.357787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.357787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.357787 (E_RNA)
where:
Base-Base interactions energy: -465.111
where: short stacking energy: -199.653
Base-Backbone interact. energy: -1.953
local terms energy: -317.294163
where:
bonds (distance) C4'-P energy: -75.377
bonds (distance) P-C4' energy: -70.562
flat angles C4'-P-C4' energy: -72.232
flat angles P-C4'-P energy: -58.495
tors. eta vs tors. theta energy: -40.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -719.303261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.303261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.303261 (E_RNA)
where:
Base-Base interactions energy: -455.492
where: short stacking energy: -205.836
Base-Backbone interact. energy: -0.579
local terms energy: -263.232223
where:
bonds (distance) C4'-P energy: -41.707
bonds (distance) P-C4' energy: -63.425
flat angles C4'-P-C4' energy: -63.393
flat angles P-C4'-P energy: -45.224
tors. eta vs tors. theta energy: -49.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -386.105728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.105728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.105728 (E_RNA)
where:
Base-Base interactions energy: -183.402
where: short stacking energy: -107.543
Base-Backbone interact. energy: -0.480
local terms energy: -202.223858
where:
bonds (distance) C4'-P energy: -60.641
bonds (distance) P-C4' energy: -65.213
flat angles C4'-P-C4' energy: -54.099
flat angles P-C4'-P energy: -22.714
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: 10, replica: 6
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -294.589368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.589368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.589368 (E_RNA)
where:
Base-Base interactions energy: -110.397
where: short stacking energy: -83.356
Base-Backbone interact. energy: -0.494
local terms energy: -183.698190
where:
bonds (distance) C4'-P energy: -65.039
bonds (distance) P-C4' energy: -49.364
flat angles C4'-P-C4' energy: -49.644
flat angles P-C4'-P energy: -33.757
tors. eta vs tors. theta energy: 14.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1243.680789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.680789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.680789 (E_RNA)
where:
Base-Base interactions energy: -823.052
where: short stacking energy: -351.561
Base-Backbone interact. energy: -1.198
local terms energy: -419.431252
where:
bonds (distance) C4'-P energy: -69.303
bonds (distance) P-C4' energy: -84.411
flat angles C4'-P-C4' energy: -88.101
flat angles P-C4'-P energy: -58.586
tors. eta vs tors. theta energy: -119.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1167.973164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.973164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.973164 (E_RNA)
where:
Base-Base interactions energy: -788.069
where: short stacking energy: -336.653
Base-Backbone interact. energy: 0.334
local terms energy: -380.238440
where:
bonds (distance) C4'-P energy: -71.842
bonds (distance) P-C4' energy: -73.575
flat angles C4'-P-C4' energy: -81.158
flat angles P-C4'-P energy: -58.227
tors. eta vs tors. theta energy: -95.437
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: 9
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1149.398816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.398816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.398816 (E_RNA)
where:
Base-Base interactions energy: -795.084
where: short stacking energy: -333.410
Base-Backbone interact. energy: -1.744
local terms energy: -352.570593
where:
bonds (distance) C4'-P energy: -61.130
bonds (distance) P-C4' energy: -66.106
flat angles C4'-P-C4' energy: -73.811
flat angles P-C4'-P energy: -51.647
tors. eta vs tors. theta energy: -99.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1073.506123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.506123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.506123 (E_RNA)
where:
Base-Base interactions energy: -726.142
where: short stacking energy: -319.153
Base-Backbone interact. energy: 1.237
local terms energy: -348.600609
where:
bonds (distance) C4'-P energy: -72.364
bonds (distance) P-C4' energy: -59.176
flat angles C4'-P-C4' energy: -85.074
flat angles P-C4'-P energy: -46.358
tors. eta vs tors. theta energy: -85.628
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: 136
Temperature: 1.100000
Total energy: -946.803489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.803489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.803489 (E_RNA)
where:
Base-Base interactions energy: -638.463
where: short stacking energy: -271.906
Base-Backbone interact. energy: 0.273
local terms energy: -308.612991
where:
bonds (distance) C4'-P energy: -58.198
bonds (distance) P-C4' energy: -73.729
flat angles C4'-P-C4' energy: -66.334
flat angles P-C4'-P energy: -41.171
tors. eta vs tors. theta energy: -69.182
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: 2
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -993.234382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.234382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.234382 (E_RNA)
where:
Base-Base interactions energy: -678.068
where: short stacking energy: -275.792
Base-Backbone interact. energy: 2.998
local terms energy: -318.164433
where:
bonds (distance) C4'-P energy: -62.639
bonds (distance) P-C4' energy: -72.008
flat angles C4'-P-C4' energy: -71.806
flat angles P-C4'-P energy: -45.781
tors. eta vs tors. theta energy: -65.930
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: 136
Temperature: 1.200000
Total energy: -859.304862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.304862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.304862 (E_RNA)
where:
Base-Base interactions energy: -554.793
where: short stacking energy: -235.829
Base-Backbone interact. energy: -0.804
local terms energy: -303.708539
where:
bonds (distance) C4'-P energy: -59.551
bonds (distance) P-C4' energy: -67.485
flat angles C4'-P-C4' energy: -66.663
flat angles P-C4'-P energy: -43.793
tors. eta vs tors. theta energy: -66.216
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: 8, replica: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -705.193457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.193457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.193457 (E_RNA)
where:
Base-Base interactions energy: -428.654
where: short stacking energy: -191.369
Base-Backbone interact. energy: -0.934
local terms energy: -275.606181
where:
bonds (distance) C4'-P energy: -61.845
bonds (distance) P-C4' energy: -76.817
flat angles C4'-P-C4' energy: -70.905
flat angles P-C4'-P energy: -25.744
tors. eta vs tors. theta energy: -40.295
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: 9, replica: 8
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -432.603970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.603970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.603970 (E_RNA)
where:
Base-Base interactions energy: -194.466
where: short stacking energy: -128.134
Base-Backbone interact. energy: 2.225
local terms energy: -240.362634
where:
bonds (distance) C4'-P energy: -54.529
bonds (distance) P-C4' energy: -73.456
flat angles C4'-P-C4' energy: -59.733
flat angles P-C4'-P energy: -40.859
tors. eta vs tors. theta energy: -11.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -311.540676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.540676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.540676 (E_RNA)
where:
Base-Base interactions energy: -124.209
where: short stacking energy: -83.648
Base-Backbone interact. energy: -0.118
local terms energy: -187.213575
where:
bonds (distance) C4'-P energy: -62.246
bonds (distance) P-C4' energy: -68.489
flat angles C4'-P-C4' energy: -38.773
flat angles P-C4'-P energy: -24.675
tors. eta vs tors. theta energy: 6.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1244.420303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.420303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.420303 (E_RNA)
where:
Base-Base interactions energy: -844.773
where: short stacking energy: -372.725
Base-Backbone interact. energy: -1.938
local terms energy: -397.709947
where:
bonds (distance) C4'-P energy: -63.436
bonds (distance) P-C4' energy: -72.339
flat angles C4'-P-C4' energy: -89.488
flat angles P-C4'-P energy: -50.988
tors. eta vs tors. theta energy: -121.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1156.920394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.920394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.920394 (E_RNA)
where:
Base-Base interactions energy: -775.583
where: short stacking energy: -327.633
Base-Backbone interact. energy: -1.546
local terms energy: -379.791600
where:
bonds (distance) C4'-P energy: -82.829
bonds (distance) P-C4' energy: -74.592
flat angles C4'-P-C4' energy: -74.353
flat angles P-C4'-P energy: -56.319
tors. eta vs tors. theta energy: -91.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1140.195358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.195358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.195358 (E_RNA)
where:
Base-Base interactions energy: -774.694
where: short stacking energy: -310.423
Base-Backbone interact. energy: -2.318
local terms energy: -363.183240
where:
bonds (distance) C4'-P energy: -66.145
bonds (distance) P-C4' energy: -74.167
flat angles C4'-P-C4' energy: -78.957
flat angles P-C4'-P energy: -57.980
tors. eta vs tors. theta energy: -85.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -1064.268216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.268216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.268216 (E_RNA)
where:
Base-Base interactions energy: -696.170
where: short stacking energy: -298.066
Base-Backbone interact. energy: -1.165
local terms energy: -366.933166
where:
bonds (distance) C4'-P energy: -73.305
bonds (distance) P-C4' energy: -77.400
flat angles C4'-P-C4' energy: -81.605
flat angles P-C4'-P energy: -47.087
tors. eta vs tors. theta energy: -87.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1002.628140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.628140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.628140 (E_RNA)
where:
Base-Base interactions energy: -675.916
where: short stacking energy: -300.873
Base-Backbone interact. energy: -1.539
local terms energy: -325.172939
where:
bonds (distance) C4'-P energy: -68.836
bonds (distance) P-C4' energy: -65.671
flat angles C4'-P-C4' energy: -77.243
flat angles P-C4'-P energy: -32.526
tors. eta vs tors. theta energy: -80.897
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: 2
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -964.991433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.991433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.991433 (E_RNA)
where:
Base-Base interactions energy: -648.991
where: short stacking energy: -271.030
Base-Backbone interact. energy: 0.888
local terms energy: -316.888684
where:
bonds (distance) C4'-P energy: -59.850
bonds (distance) P-C4' energy: -67.760
flat angles C4'-P-C4' energy: -65.740
flat angles P-C4'-P energy: -51.783
tors. eta vs tors. theta energy: -71.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -817.642528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.642528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.642528 (E_RNA)
where:
Base-Base interactions energy: -547.704
where: short stacking energy: -242.937
Base-Backbone interact. energy: -0.413
local terms energy: -269.525828
where:
bonds (distance) C4'-P energy: -51.163
bonds (distance) P-C4' energy: -54.598
flat angles C4'-P-C4' energy: -65.289
flat angles P-C4'-P energy: -45.436
tors. eta vs tors. theta energy: -53.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -696.662339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.662339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.662339 (E_RNA)
where:
Base-Base interactions energy: -440.572
where: short stacking energy: -218.548
Base-Backbone interact. energy: 1.557
local terms energy: -257.647670
where:
bonds (distance) C4'-P energy: -53.005
bonds (distance) P-C4' energy: -73.613
flat angles C4'-P-C4' energy: -60.040
flat angles P-C4'-P energy: -29.622
tors. eta vs tors. theta energy: -41.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -384.930900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.930900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.930900 (E_RNA)
where:
Base-Base interactions energy: -166.320
where: short stacking energy: -103.933
Base-Backbone interact. energy: -0.994
local terms energy: -217.617574
where:
bonds (distance) C4'-P energy: -59.856
bonds (distance) P-C4' energy: -73.942
flat angles C4'-P-C4' energy: -52.149
flat angles P-C4'-P energy: -32.469
tors. eta vs tors. theta energy: 0.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -302.966955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.966955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.966955 (E_RNA)
where:
Base-Base interactions energy: -99.909
where: short stacking energy: -77.134
Base-Backbone interact. energy: -1.122
local terms energy: -201.936390
where:
bonds (distance) C4'-P energy: -68.977
bonds (distance) P-C4' energy: -64.386
flat angles C4'-P-C4' energy: -59.764
flat angles P-C4'-P energy: -20.367
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: 1, replica: 1
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1245.580527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.580527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.580527 (E_RNA)
where:
Base-Base interactions energy: -838.291
where: short stacking energy: -376.458
Base-Backbone interact. energy: -0.630
local terms energy: -406.659271
where:
bonds (distance) C4'-P energy: -77.183
bonds (distance) P-C4' energy: -75.076
flat angles C4'-P-C4' energy: -85.057
flat angles P-C4'-P energy: -52.543
tors. eta vs tors. theta energy: -116.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1149.495996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.495996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.495996 (E_RNA)
where:
Base-Base interactions energy: -790.391
where: short stacking energy: -330.958
Base-Backbone interact. energy: -1.079
local terms energy: -358.025771
where:
bonds (distance) C4'-P energy: -68.604
bonds (distance) P-C4' energy: -70.430
flat angles C4'-P-C4' energy: -75.974
flat angles P-C4'-P energy: -53.175
tors. eta vs tors. theta energy: -89.843
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: 138
Temperature: 1.000000
Total energy: -1130.091896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.091896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.091896 (E_RNA)
where:
Base-Base interactions energy: -770.630
where: short stacking energy: -339.930
Base-Backbone interact. energy: -1.346
local terms energy: -358.115854
where:
bonds (distance) C4'-P energy: -63.678
bonds (distance) P-C4' energy: -67.305
flat angles C4'-P-C4' energy: -81.315
flat angles P-C4'-P energy: -35.726
tors. eta vs tors. theta energy: -110.092
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: 3
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1051.746557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.746557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.746557 (E_RNA)
where:
Base-Base interactions energy: -679.987
where: short stacking energy: -288.855
Base-Backbone interact. energy: -1.584
local terms energy: -370.175616
where:
bonds (distance) C4'-P energy: -74.137
bonds (distance) P-C4' energy: -73.782
flat angles C4'-P-C4' energy: -77.994
flat angles P-C4'-P energy: -56.635
tors. eta vs tors. theta energy: -87.628
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: 138
Temperature: 1.100000
Total energy: -1005.033903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.033903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.033903 (E_RNA)
where:
Base-Base interactions energy: -676.605
where: short stacking energy: -287.033
Base-Backbone interact. energy: -1.713
local terms energy: -326.715352
where:
bonds (distance) C4'-P energy: -67.044
bonds (distance) P-C4' energy: -61.588
flat angles C4'-P-C4' energy: -66.708
flat angles P-C4'-P energy: -50.002
tors. eta vs tors. theta energy: -81.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -959.948157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.948157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.948157 (E_RNA)
where:
Base-Base interactions energy: -642.814
where: short stacking energy: -261.352
Base-Backbone interact. energy: -1.560
local terms energy: -315.573698
where:
bonds (distance) C4'-P energy: -66.997
bonds (distance) P-C4' energy: -76.711
flat angles C4'-P-C4' energy: -61.789
flat angles P-C4'-P energy: -43.066
tors. eta vs tors. theta energy: -67.011
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: 4
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -823.103044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.103044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.103044 (E_RNA)
where:
Base-Base interactions energy: -528.789
where: short stacking energy: -229.390
Base-Backbone interact. energy: -0.679
local terms energy: -293.634552
where:
bonds (distance) C4'-P energy: -69.066
bonds (distance) P-C4' energy: -66.605
flat angles C4'-P-C4' energy: -59.754
flat angles P-C4'-P energy: -45.051
tors. eta vs tors. theta energy: -53.158
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: 10
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -692.414895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.414895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.414895 (E_RNA)
where:
Base-Base interactions energy: -440.439
where: short stacking energy: -193.297
Base-Backbone interact. energy: 0.501
local terms energy: -252.476507
where:
bonds (distance) C4'-P energy: -55.734
bonds (distance) P-C4' energy: -67.174
flat angles C4'-P-C4' energy: -57.878
flat angles P-C4'-P energy: -38.970
tors. eta vs tors. theta energy: -32.720
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: 8
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -401.124391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.124391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.124391 (E_RNA)
where:
Base-Base interactions energy: -201.914
where: short stacking energy: -116.763
Base-Backbone interact. energy: -1.225
local terms energy: -197.985271
where:
bonds (distance) C4'-P energy: -51.240
bonds (distance) P-C4' energy: -58.503
flat angles C4'-P-C4' energy: -56.816
flat angles P-C4'-P energy: -30.922
tors. eta vs tors. theta energy: -0.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -318.627402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.627402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.627402 (E_RNA)
where:
Base-Base interactions energy: -139.889
where: short stacking energy: -93.955
Base-Backbone interact. energy: 1.757
local terms energy: -180.495260
where:
bonds (distance) C4'-P energy: -43.663
bonds (distance) P-C4' energy: -60.206
flat angles C4'-P-C4' energy: -55.400
flat angles P-C4'-P energy: -26.831
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: 1
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1257.585235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.585235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.585235 (E_RNA)
where:
Base-Base interactions energy: -848.234
where: short stacking energy: -369.176
Base-Backbone interact. energy: -0.930
local terms energy: -408.422001
where:
bonds (distance) C4'-P energy: -77.511
bonds (distance) P-C4' energy: -74.093
flat angles C4'-P-C4' energy: -80.039
flat angles P-C4'-P energy: -60.148
tors. eta vs tors. theta energy: -116.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1145.658089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.658089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.658089 (E_RNA)
where:
Base-Base interactions energy: -778.938
where: short stacking energy: -309.573
Base-Backbone interact. energy: -0.617
local terms energy: -366.102684
where:
bonds (distance) C4'-P energy: -74.101
bonds (distance) P-C4' energy: -66.172
flat angles C4'-P-C4' energy: -79.769
flat angles P-C4'-P energy: -54.436
tors. eta vs tors. theta energy: -91.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1159.116986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.116986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.116986 (E_RNA)
where:
Base-Base interactions energy: -788.598
where: short stacking energy: -345.095
Base-Backbone interact. energy: -1.476
local terms energy: -369.043200
where:
bonds (distance) C4'-P energy: -65.637
bonds (distance) P-C4' energy: -68.247
flat angles C4'-P-C4' energy: -80.707
flat angles P-C4'-P energy: -49.936
tors. eta vs tors. theta energy: -104.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1032.833787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.833787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.833787 (E_RNA)
where:
Base-Base interactions energy: -696.667
where: short stacking energy: -284.874
Base-Backbone interact. energy: -2.041
local terms energy: -334.126064
where:
bonds (distance) C4'-P energy: -61.530
bonds (distance) P-C4' energy: -67.999
flat angles C4'-P-C4' energy: -75.125
flat angles P-C4'-P energy: -51.290
tors. eta vs tors. theta energy: -78.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1012.282872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.282872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.282872 (E_RNA)
where:
Base-Base interactions energy: -675.564
where: short stacking energy: -297.200
Base-Backbone interact. energy: -1.778
local terms energy: -334.940605
where:
bonds (distance) C4'-P energy: -63.180
bonds (distance) P-C4' energy: -59.173
flat angles C4'-P-C4' energy: -84.105
flat angles P-C4'-P energy: -38.968
tors. eta vs tors. theta energy: -89.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -892.831549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.831549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.831549 (E_RNA)
where:
Base-Base interactions energy: -597.618
where: short stacking energy: -246.032
Base-Backbone interact. energy: -0.441
local terms energy: -294.771978
where:
bonds (distance) C4'-P energy: -60.420
bonds (distance) P-C4' energy: -65.109
flat angles C4'-P-C4' energy: -70.435
flat angles P-C4'-P energy: -43.833
tors. eta vs tors. theta energy: -54.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -796.538949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.538949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.538949 (E_RNA)
where:
Base-Base interactions energy: -506.409
where: short stacking energy: -242.620
Base-Backbone interact. energy: -1.763
local terms energy: -288.366696
where:
bonds (distance) C4'-P energy: -55.244
bonds (distance) P-C4' energy: -57.105
flat angles C4'-P-C4' energy: -77.199
flat angles P-C4'-P energy: -36.565
tors. eta vs tors. theta energy: -62.254
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: 10
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -694.290833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.290833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.290833 (E_RNA)
where:
Base-Base interactions energy: -417.442
where: short stacking energy: -191.680
Base-Backbone interact. energy: -0.404
local terms energy: -276.445079
where:
bonds (distance) C4'-P energy: -60.494
bonds (distance) P-C4' energy: -60.781
flat angles C4'-P-C4' energy: -73.881
flat angles P-C4'-P energy: -41.225
tors. eta vs tors. theta energy: -40.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -390.237159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.237159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.237159 (E_RNA)
where:
Base-Base interactions energy: -183.949
where: short stacking energy: -108.497
Base-Backbone interact. energy: 1.035
local terms energy: -207.323436
where:
bonds (distance) C4'-P energy: -59.559
bonds (distance) P-C4' energy: -62.676
flat angles C4'-P-C4' energy: -54.274
flat angles P-C4'-P energy: -30.604
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: 10, replica: 6
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -273.434908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.434908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.434908 (E_RNA)
where:
Base-Base interactions energy: -91.024
where: short stacking energy: -72.540
Base-Backbone interact. energy: -3.060
local terms energy: -179.351379
where:
bonds (distance) C4'-P energy: -57.579
bonds (distance) P-C4' energy: -61.945
flat angles C4'-P-C4' energy: -35.237
flat angles P-C4'-P energy: -37.452
tors. eta vs tors. theta energy: 12.861
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: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1256.783762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.783762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.783762 (E_RNA)
where:
Base-Base interactions energy: -836.003
where: short stacking energy: -362.215
Base-Backbone interact. energy: -2.111
local terms energy: -418.669931
where:
bonds (distance) C4'-P energy: -78.869
bonds (distance) P-C4' energy: -81.882
flat angles C4'-P-C4' energy: -84.309
flat angles P-C4'-P energy: -52.027
tors. eta vs tors. theta energy: -121.584
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: 2, replica: 7
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1175.594825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.594825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.594825 (E_RNA)
where:
Base-Base interactions energy: -769.810
where: short stacking energy: -321.161
Base-Backbone interact. energy: -1.498
local terms energy: -404.286172
where:
bonds (distance) C4'-P energy: -82.052
bonds (distance) P-C4' energy: -77.622
flat angles C4'-P-C4' energy: -88.906
flat angles P-C4'-P energy: -56.930
tors. eta vs tors. theta energy: -98.775
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: 9
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1172.647723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.647723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.647723 (E_RNA)
where:
Base-Base interactions energy: -802.142
where: short stacking energy: -345.591
Base-Backbone interact. energy: -1.202
local terms energy: -369.304318
where:
bonds (distance) C4'-P energy: -68.401
bonds (distance) P-C4' energy: -62.994
flat angles C4'-P-C4' energy: -83.460
flat angles P-C4'-P energy: -58.449
tors. eta vs tors. theta energy: -96.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1016.979765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.979765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.979765 (E_RNA)
where:
Base-Base interactions energy: -658.577
where: short stacking energy: -299.510
Base-Backbone interact. energy: -2.489
local terms energy: -355.913347
where:
bonds (distance) C4'-P energy: -62.671
bonds (distance) P-C4' energy: -74.694
flat angles C4'-P-C4' energy: -83.457
flat angles P-C4'-P energy: -54.457
tors. eta vs tors. theta energy: -80.634
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: 5, replica: 3
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1017.526269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.526269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.526269 (E_RNA)
where:
Base-Base interactions energy: -662.642
where: short stacking energy: -284.883
Base-Backbone interact. energy: -2.112
local terms energy: -352.772517
where:
bonds (distance) C4'-P energy: -67.134
bonds (distance) P-C4' energy: -77.279
flat angles C4'-P-C4' energy: -75.828
flat angles P-C4'-P energy: -52.491
tors. eta vs tors. theta energy: -80.040
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: 2
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -904.547114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.547114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.547114 (E_RNA)
where:
Base-Base interactions energy: -613.940
where: short stacking energy: -276.893
Base-Backbone interact. energy: -0.898
local terms energy: -289.708805
where:
bonds (distance) C4'-P energy: -64.509
bonds (distance) P-C4' energy: -63.289
flat angles C4'-P-C4' energy: -73.161
flat angles P-C4'-P energy: -29.697
tors. eta vs tors. theta energy: -59.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -819.171524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.171524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.171524 (E_RNA)
where:
Base-Base interactions energy: -525.403
where: short stacking energy: -220.068
Base-Backbone interact. energy: -0.366
local terms energy: -293.402918
where:
bonds (distance) C4'-P energy: -61.178
bonds (distance) P-C4' energy: -67.225
flat angles C4'-P-C4' energy: -64.491
flat angles P-C4'-P energy: -46.183
tors. eta vs tors. theta energy: -54.326
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: 10
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -674.605382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.605382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.605382 (E_RNA)
where:
Base-Base interactions energy: -411.320
where: short stacking energy: -178.807
Base-Backbone interact. energy: 1.306
local terms energy: -264.591133
where:
bonds (distance) C4'-P energy: -60.177
bonds (distance) P-C4' energy: -81.113
flat angles C4'-P-C4' energy: -50.834
flat angles P-C4'-P energy: -35.706
tors. eta vs tors. theta energy: -36.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -385.698474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.698474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.698474 (E_RNA)
where:
Base-Base interactions energy: -176.598
where: short stacking energy: -115.104
Base-Backbone interact. energy: -0.214
local terms energy: -208.886547
where:
bonds (distance) C4'-P energy: -61.459
bonds (distance) P-C4' energy: -65.044
flat angles C4'-P-C4' energy: -55.087
flat angles P-C4'-P energy: -30.640
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: 10, replica: 6
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -312.515073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.515073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.515073 (E_RNA)
where:
Base-Base interactions energy: -106.062
where: short stacking energy: -79.775
Base-Backbone interact. energy: -1.078
local terms energy: -205.375068
where:
bonds (distance) C4'-P energy: -60.254
bonds (distance) P-C4' energy: -58.064
flat angles C4'-P-C4' energy: -53.053
flat angles P-C4'-P energy: -33.993
tors. eta vs tors. theta energy: -0.010
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: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1236.016872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.016872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.016872 (E_RNA)
where:
Base-Base interactions energy: -830.129
where: short stacking energy: -362.534
Base-Backbone interact. energy: -2.348
local terms energy: -403.539968
where:
bonds (distance) C4'-P energy: -74.585
bonds (distance) P-C4' energy: -76.343
flat angles C4'-P-C4' energy: -84.457
flat angles P-C4'-P energy: -50.366
tors. eta vs tors. theta energy: -117.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1182.348067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.348067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.348067 (E_RNA)
where:
Base-Base interactions energy: -793.399
where: short stacking energy: -327.263
Base-Backbone interact. energy: -0.742
local terms energy: -388.206888
where:
bonds (distance) C4'-P energy: -80.350
bonds (distance) P-C4' energy: -66.707
flat angles C4'-P-C4' energy: -77.834
flat angles P-C4'-P energy: -54.268
tors. eta vs tors. theta energy: -109.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1134.280468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.280468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.280468 (E_RNA)
where:
Base-Base interactions energy: -779.001
where: short stacking energy: -304.665
Base-Backbone interact. energy: -0.875
local terms energy: -354.404588
where:
bonds (distance) C4'-P energy: -62.873
bonds (distance) P-C4' energy: -73.579
flat angles C4'-P-C4' energy: -78.881
flat angles P-C4'-P energy: -53.215
tors. eta vs tors. theta energy: -85.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1064.431320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.431320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.431320 (E_RNA)
where:
Base-Base interactions energy: -720.520
where: short stacking energy: -319.391
Base-Backbone interact. energy: 0.169
local terms energy: -344.080007
where:
bonds (distance) C4'-P energy: -66.937
bonds (distance) P-C4' energy: -70.928
flat angles C4'-P-C4' energy: -74.100
flat angles P-C4'-P energy: -51.047
tors. eta vs tors. theta energy: -81.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -930.858474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.858474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.858474 (E_RNA)
where:
Base-Base interactions energy: -607.887
where: short stacking energy: -254.081
Base-Backbone interact. energy: -2.394
local terms energy: -320.578111
where:
bonds (distance) C4'-P energy: -74.538
bonds (distance) P-C4' energy: -68.570
flat angles C4'-P-C4' energy: -65.034
flat angles P-C4'-P energy: -39.635
tors. eta vs tors. theta energy: -72.801
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: 2
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -881.836548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.836548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.836548 (E_RNA)
where:
Base-Base interactions energy: -564.338
where: short stacking energy: -237.997
Base-Backbone interact. energy: -1.387
local terms energy: -316.112164
where:
bonds (distance) C4'-P energy: -72.140
bonds (distance) P-C4' energy: -67.987
flat angles C4'-P-C4' energy: -78.229
flat angles P-C4'-P energy: -42.789
tors. eta vs tors. theta energy: -54.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -793.659612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.659612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.659612 (E_RNA)
where:
Base-Base interactions energy: -519.488
where: short stacking energy: -244.237
Base-Backbone interact. energy: -0.858
local terms energy: -273.313451
where:
bonds (distance) C4'-P energy: -47.253
bonds (distance) P-C4' energy: -61.343
flat angles C4'-P-C4' energy: -65.168
flat angles P-C4'-P energy: -38.178
tors. eta vs tors. theta energy: -61.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -642.058789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.058789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.058789 (E_RNA)
where:
Base-Base interactions energy: -412.482
where: short stacking energy: -178.446
Base-Backbone interact. energy: -0.733
local terms energy: -228.843696
where:
bonds (distance) C4'-P energy: -53.124
bonds (distance) P-C4' energy: -50.552
flat angles C4'-P-C4' energy: -51.007
flat angles P-C4'-P energy: -46.197
tors. eta vs tors. theta energy: -27.964
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: 8
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -394.576505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.576505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.576505 (E_RNA)
where:
Base-Base interactions energy: -168.920
where: short stacking energy: -111.985
Base-Backbone interact. energy: -0.697
local terms energy: -224.960051
where:
bonds (distance) C4'-P energy: -63.514
bonds (distance) P-C4' energy: -60.492
flat angles C4'-P-C4' energy: -55.443
flat angles P-C4'-P energy: -32.653
tors. eta vs tors. theta energy: -12.857
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: 141
Temperature: 1.350000
Total energy: -308.779292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.779292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.779292 (E_RNA)
where:
Base-Base interactions energy: -119.053
where: short stacking energy: -63.265
Base-Backbone interact. energy: -1.410
local terms energy: -188.316772
where:
bonds (distance) C4'-P energy: -75.878
bonds (distance) P-C4' energy: -64.745
flat angles C4'-P-C4' energy: -46.759
flat angles P-C4'-P energy: -23.580
tors. eta vs tors. theta energy: 22.646
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: 9
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1222.312138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.312138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.312138 (E_RNA)
where:
Base-Base interactions energy: -822.777
where: short stacking energy: -357.300
Base-Backbone interact. energy: -2.258
local terms energy: -397.277042
where:
bonds (distance) C4'-P energy: -75.632
bonds (distance) P-C4' energy: -78.616
flat angles C4'-P-C4' energy: -77.137
flat angles P-C4'-P energy: -57.578
tors. eta vs tors. theta energy: -108.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1224.498940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.498940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.498940 (E_RNA)
where:
Base-Base interactions energy: -830.823
where: short stacking energy: -369.323
Base-Backbone interact. energy: -0.823
local terms energy: -392.853332
where:
bonds (distance) C4'-P energy: -69.973
bonds (distance) P-C4' energy: -69.075
flat angles C4'-P-C4' energy: -81.762
flat angles P-C4'-P energy: -52.630
tors. eta vs tors. theta energy: -119.413
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: 142
Temperature: 1.000000
Total energy: -1127.193713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.193713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.193713 (E_RNA)
where:
Base-Base interactions energy: -777.441
where: short stacking energy: -314.948
Base-Backbone interact. energy: -1.370
local terms energy: -348.382335
where:
bonds (distance) C4'-P energy: -65.096
bonds (distance) P-C4' energy: -81.194
flat angles C4'-P-C4' energy: -65.456
flat angles P-C4'-P energy: -52.392
tors. eta vs tors. theta energy: -84.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1040.969795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.969795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.969795 (E_RNA)
where:
Base-Base interactions energy: -694.261
where: short stacking energy: -317.260
Base-Backbone interact. energy: 2.269
local terms energy: -348.978427
where:
bonds (distance) C4'-P energy: -56.018
bonds (distance) P-C4' energy: -71.498
flat angles C4'-P-C4' energy: -72.279
flat angles P-C4'-P energy: -56.830
tors. eta vs tors. theta energy: -92.353
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: 5
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -979.096775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.096775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.096775 (E_RNA)
where:
Base-Base interactions energy: -647.874
where: short stacking energy: -273.898
Base-Backbone interact. energy: -1.569
local terms energy: -329.653670
where:
bonds (distance) C4'-P energy: -67.830
bonds (distance) P-C4' energy: -68.348
flat angles C4'-P-C4' energy: -75.077
flat angles P-C4'-P energy: -43.707
tors. eta vs tors. theta energy: -74.692
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: 2
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -906.619305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.619305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.619305 (E_RNA)
where:
Base-Base interactions energy: -617.939
where: short stacking energy: -249.294
Base-Backbone interact. energy: -0.246
local terms energy: -288.434262
where:
bonds (distance) C4'-P energy: -68.147
bonds (distance) P-C4' energy: -64.181
flat angles C4'-P-C4' energy: -63.271
flat angles P-C4'-P energy: -30.003
tors. eta vs tors. theta energy: -62.831
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: 7, replica: 4
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -797.205957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.205957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.205957 (E_RNA)
where:
Base-Base interactions energy: -515.434
where: short stacking energy: -223.045
Base-Backbone interact. energy: -0.964
local terms energy: -280.808731
where:
bonds (distance) C4'-P energy: -60.616
bonds (distance) P-C4' energy: -64.040
flat angles C4'-P-C4' energy: -58.285
flat angles P-C4'-P energy: -45.187
tors. eta vs tors. theta energy: -52.681
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: 10
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -654.778584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.778584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.778584 (E_RNA)
where:
Base-Base interactions energy: -395.485
where: short stacking energy: -180.608
Base-Backbone interact. energy: -1.554
local terms energy: -257.739082
where:
bonds (distance) C4'-P energy: -67.048
bonds (distance) P-C4' energy: -68.147
flat angles C4'-P-C4' energy: -62.714
flat angles P-C4'-P energy: -33.108
tors. eta vs tors. theta energy: -26.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -384.143485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.143485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.143485 (E_RNA)
where:
Base-Base interactions energy: -174.549
where: short stacking energy: -102.601
Base-Backbone interact. energy: -0.624
local terms energy: -208.970388
where:
bonds (distance) C4'-P energy: -61.556
bonds (distance) P-C4' energy: -57.278
flat angles C4'-P-C4' energy: -57.136
flat angles P-C4'-P energy: -29.077
tors. eta vs tors. theta energy: -3.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -286.507655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.507655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.507655 (E_RNA)
where:
Base-Base interactions energy: -88.508
where: short stacking energy: -78.294
Base-Backbone interact. energy: 0.677
local terms energy: -198.676262
where:
bonds (distance) C4'-P energy: -66.938
bonds (distance) P-C4' energy: -58.248
flat angles C4'-P-C4' energy: -39.557
flat angles P-C4'-P energy: -39.858
tors. eta vs tors. theta energy: 5.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1228.467339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.467339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.467339 (E_RNA)
where:
Base-Base interactions energy: -836.179
where: short stacking energy: -356.133
Base-Backbone interact. energy: -1.050
local terms energy: -391.237710
where:
bonds (distance) C4'-P energy: -65.192
bonds (distance) P-C4' energy: -79.851
flat angles C4'-P-C4' energy: -84.015
flat angles P-C4'-P energy: -51.792
tors. eta vs tors. theta energy: -110.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1223.380678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.380678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.380678 (E_RNA)
where:
Base-Base interactions energy: -824.577
where: short stacking energy: -355.076
Base-Backbone interact. energy: 0.261
local terms energy: -399.065257
where:
bonds (distance) C4'-P energy: -74.986
bonds (distance) P-C4' energy: -70.612
flat angles C4'-P-C4' energy: -86.563
flat angles P-C4'-P energy: -59.510
tors. eta vs tors. theta energy: -107.394
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: 7
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1150.184089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.184089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.184089 (E_RNA)
where:
Base-Base interactions energy: -798.197
where: short stacking energy: -321.347
Base-Backbone interact. energy: -0.867
local terms energy: -351.120267
where:
bonds (distance) C4'-P energy: -62.201
bonds (distance) P-C4' energy: -65.926
flat angles C4'-P-C4' energy: -74.127
flat angles P-C4'-P energy: -63.802
tors. eta vs tors. theta energy: -85.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1083.334796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.334796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.334796 (E_RNA)
where:
Base-Base interactions energy: -740.806
where: short stacking energy: -310.643
Base-Backbone interact. energy: -2.550
local terms energy: -339.978674
where:
bonds (distance) C4'-P energy: -64.938
bonds (distance) P-C4' energy: -60.085
flat angles C4'-P-C4' energy: -72.561
flat angles P-C4'-P energy: -46.984
tors. eta vs tors. theta energy: -95.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -962.309294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.309294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.309294 (E_RNA)
where:
Base-Base interactions energy: -661.232
where: short stacking energy: -287.001
Base-Backbone interact. energy: -2.455
local terms energy: -298.622437
where:
bonds (distance) C4'-P energy: -61.225
bonds (distance) P-C4' energy: -53.655
flat angles C4'-P-C4' energy: -74.174
flat angles P-C4'-P energy: -37.982
tors. eta vs tors. theta energy: -71.587
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: 2
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -946.984130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.984130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.984130 (E_RNA)
where:
Base-Base interactions energy: -625.996
where: short stacking energy: -253.266
Base-Backbone interact. energy: -1.209
local terms energy: -319.779535
where:
bonds (distance) C4'-P energy: -67.551
bonds (distance) P-C4' energy: -75.871
flat angles C4'-P-C4' energy: -64.940
flat angles P-C4'-P energy: -49.021
tors. eta vs tors. theta energy: -62.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -743.210242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.210242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.210242 (E_RNA)
where:
Base-Base interactions energy: -483.817
where: short stacking energy: -219.611
Base-Backbone interact. energy: -1.919
local terms energy: -257.474287
where:
bonds (distance) C4'-P energy: -59.611
bonds (distance) P-C4' energy: -67.451
flat angles C4'-P-C4' energy: -65.550
flat angles P-C4'-P energy: -20.936
tors. eta vs tors. theta energy: -43.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -726.942540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.942540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.942540 (E_RNA)
where:
Base-Base interactions energy: -456.281
where: short stacking energy: -194.306
Base-Backbone interact. energy: 0.348
local terms energy: -271.009744
where:
bonds (distance) C4'-P energy: -63.264
bonds (distance) P-C4' energy: -67.074
flat angles C4'-P-C4' energy: -57.866
flat angles P-C4'-P energy: -47.585
tors. eta vs tors. theta energy: -35.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -365.597322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.597322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.597322 (E_RNA)
where:
Base-Base interactions energy: -157.839
where: short stacking energy: -94.891
Base-Backbone interact. energy: -1.146
local terms energy: -206.613094
where:
bonds (distance) C4'-P energy: -65.006
bonds (distance) P-C4' energy: -70.383
flat angles C4'-P-C4' energy: -37.393
flat angles P-C4'-P energy: -34.443
tors. eta vs tors. theta energy: 0.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -308.634006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.634006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.634006 (E_RNA)
where:
Base-Base interactions energy: -116.564
where: short stacking energy: -110.400
Base-Backbone interact. energy: -1.474
local terms energy: -190.596158
where:
bonds (distance) C4'-P energy: -49.323
bonds (distance) P-C4' energy: -46.999
flat angles C4'-P-C4' energy: -51.467
flat angles P-C4'-P energy: -35.582
tors. eta vs tors. theta energy: -7.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1253.638256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.638256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.638256 (E_RNA)
where:
Base-Base interactions energy: -844.825
where: short stacking energy: -364.762
Base-Backbone interact. energy: -3.087
local terms energy: -405.727200
where:
bonds (distance) C4'-P energy: -69.061
bonds (distance) P-C4' energy: -72.808
flat angles C4'-P-C4' energy: -87.768
flat angles P-C4'-P energy: -55.862
tors. eta vs tors. theta energy: -120.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1231.099558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.099558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.099558 (E_RNA)
where:
Base-Base interactions energy: -821.850
where: short stacking energy: -359.624
Base-Backbone interact. energy: -1.627
local terms energy: -407.622252
where:
bonds (distance) C4'-P energy: -81.615
bonds (distance) P-C4' energy: -70.773
flat angles C4'-P-C4' energy: -84.662
flat angles P-C4'-P energy: -57.776
tors. eta vs tors. theta energy: -112.796
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: 7
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1118.949269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.949269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.949269 (E_RNA)
where:
Base-Base interactions energy: -771.151
where: short stacking energy: -311.046
Base-Backbone interact. energy: -1.753
local terms energy: -346.044850
where:
bonds (distance) C4'-P energy: -53.242
bonds (distance) P-C4' energy: -67.022
flat angles C4'-P-C4' energy: -79.219
flat angles P-C4'-P energy: -58.035
tors. eta vs tors. theta energy: -88.527
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: 4, replica: 3
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1069.092062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.092062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.092062 (E_RNA)
where:
Base-Base interactions energy: -711.179
where: short stacking energy: -299.305
Base-Backbone interact. energy: -0.542
local terms energy: -357.370935
where:
bonds (distance) C4'-P energy: -66.275
bonds (distance) P-C4' energy: -74.327
flat angles C4'-P-C4' energy: -79.124
flat angles P-C4'-P energy: -46.934
tors. eta vs tors. theta energy: -90.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -993.530792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.530792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.530792 (E_RNA)
where:
Base-Base interactions energy: -673.925
where: short stacking energy: -278.050
Base-Backbone interact. energy: -0.232
local terms energy: -319.374127
where:
bonds (distance) C4'-P energy: -58.751
bonds (distance) P-C4' energy: -73.655
flat angles C4'-P-C4' energy: -68.513
flat angles P-C4'-P energy: -46.648
tors. eta vs tors. theta energy: -71.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -973.501221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.501221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.501221 (E_RNA)
where:
Base-Base interactions energy: -646.677
where: short stacking energy: -271.385
Base-Backbone interact. energy: -1.694
local terms energy: -325.130354
where:
bonds (distance) C4'-P energy: -61.762
bonds (distance) P-C4' energy: -72.332
flat angles C4'-P-C4' energy: -66.097
flat angles P-C4'-P energy: -50.541
tors. eta vs tors. theta energy: -74.399
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: 10
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -809.163575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.163575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.163575 (E_RNA)
where:
Base-Base interactions energy: -534.420
where: short stacking energy: -213.477
Base-Backbone interact. energy: -2.308
local terms energy: -272.435140
where:
bonds (distance) C4'-P energy: -67.297
bonds (distance) P-C4' energy: -62.919
flat angles C4'-P-C4' energy: -62.875
flat angles P-C4'-P energy: -38.508
tors. eta vs tors. theta energy: -40.836
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: 4
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -700.082379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.082379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.082379 (E_RNA)
where:
Base-Base interactions energy: -421.532
where: short stacking energy: -184.528
Base-Backbone interact. energy: -1.332
local terms energy: -277.218423
where:
bonds (distance) C4'-P energy: -68.179
bonds (distance) P-C4' energy: -61.826
flat angles C4'-P-C4' energy: -77.087
flat angles P-C4'-P energy: -43.692
tors. eta vs tors. theta energy: -26.434
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: 8
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -377.104070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.104070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.104070 (E_RNA)
where:
Base-Base interactions energy: -172.755
where: short stacking energy: -107.946
Base-Backbone interact. energy: 3.231
local terms energy: -207.580479
where:
bonds (distance) C4'-P energy: -66.584
bonds (distance) P-C4' energy: -63.272
flat angles C4'-P-C4' energy: -54.778
flat angles P-C4'-P energy: -22.500
tors. eta vs tors. theta energy: -0.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -324.279134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.279134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.279134 (E_RNA)
where:
Base-Base interactions energy: -108.926
where: short stacking energy: -79.192
Base-Backbone interact. energy: -0.293
local terms energy: -215.059835
where:
bonds (distance) C4'-P energy: -63.588
bonds (distance) P-C4' energy: -72.465
flat angles C4'-P-C4' energy: -51.746
flat angles P-C4'-P energy: -33.725
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: 1, replica: 1
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1266.188833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.188833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.188833 (E_RNA)
where:
Base-Base interactions energy: -866.392
where: short stacking energy: -369.150
Base-Backbone interact. energy: -2.595
local terms energy: -397.202531
where:
bonds (distance) C4'-P energy: -80.395
bonds (distance) P-C4' energy: -61.542
flat angles C4'-P-C4' energy: -84.298
flat angles P-C4'-P energy: -58.830
tors. eta vs tors. theta energy: -112.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1218.331935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.331935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.331935 (E_RNA)
where:
Base-Base interactions energy: -824.905
where: short stacking energy: -356.965
Base-Backbone interact. energy: -0.500
local terms energy: -392.927321
where:
bonds (distance) C4'-P energy: -72.964
bonds (distance) P-C4' energy: -74.942
flat angles C4'-P-C4' energy: -84.156
flat angles P-C4'-P energy: -50.800
tors. eta vs tors. theta energy: -110.066
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: 7
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1140.985434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.985434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.985434 (E_RNA)
where:
Base-Base interactions energy: -800.554
where: short stacking energy: -333.402
Base-Backbone interact. energy: -1.779
local terms energy: -338.653000
where:
bonds (distance) C4'-P energy: -58.844
bonds (distance) P-C4' energy: -72.939
flat angles C4'-P-C4' energy: -71.295
flat angles P-C4'-P energy: -49.008
tors. eta vs tors. theta energy: -86.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1043.434709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.434709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.434709 (E_RNA)
where:
Base-Base interactions energy: -694.651
where: short stacking energy: -295.249
Base-Backbone interact. energy: -2.061
local terms energy: -346.721891
where:
bonds (distance) C4'-P energy: -68.265
bonds (distance) P-C4' energy: -69.608
flat angles C4'-P-C4' energy: -76.578
flat angles P-C4'-P energy: -48.096
tors. eta vs tors. theta energy: -84.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -967.507367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.507367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.507367 (E_RNA)
where:
Base-Base interactions energy: -651.642
where: short stacking energy: -264.548
Base-Backbone interact. energy: -2.073
local terms energy: -313.792327
where:
bonds (distance) C4'-P energy: -59.560
bonds (distance) P-C4' energy: -72.073
flat angles C4'-P-C4' energy: -74.132
flat angles P-C4'-P energy: -40.096
tors. eta vs tors. theta energy: -67.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -951.454851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.454851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.454851 (E_RNA)
where:
Base-Base interactions energy: -637.511
where: short stacking energy: -263.295
Base-Backbone interact. energy: 0.020
local terms energy: -313.963506
where:
bonds (distance) C4'-P energy: -57.887
bonds (distance) P-C4' energy: -70.696
flat angles C4'-P-C4' energy: -71.063
flat angles P-C4'-P energy: -39.968
tors. eta vs tors. theta energy: -74.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -821.844012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.844012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.844012 (E_RNA)
where:
Base-Base interactions energy: -531.149
where: short stacking energy: -252.879
Base-Backbone interact. energy: 2.259
local terms energy: -292.953669
where:
bonds (distance) C4'-P energy: -63.518
bonds (distance) P-C4' energy: -58.284
flat angles C4'-P-C4' energy: -64.212
flat angles P-C4'-P energy: -44.927
tors. eta vs tors. theta energy: -62.013
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: 4
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -714.308119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.308119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.308119 (E_RNA)
where:
Base-Base interactions energy: -458.362
where: short stacking energy: -200.773
Base-Backbone interact. energy: 1.702
local terms energy: -257.648687
where:
bonds (distance) C4'-P energy: -60.909
bonds (distance) P-C4' energy: -54.930
flat angles C4'-P-C4' energy: -67.502
flat angles P-C4'-P energy: -36.204
tors. eta vs tors. theta energy: -38.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -372.666224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.666224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.666224 (E_RNA)
where:
Base-Base interactions energy: -151.058
where: short stacking energy: -97.734
Base-Backbone interact. energy: -0.949
local terms energy: -220.659743
where:
bonds (distance) C4'-P energy: -58.365
bonds (distance) P-C4' energy: -69.761
flat angles C4'-P-C4' energy: -64.908
flat angles P-C4'-P energy: -27.903
tors. eta vs tors. theta energy: 0.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -311.162932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.162932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.162932 (E_RNA)
where:
Base-Base interactions energy: -105.535
where: short stacking energy: -96.310
Base-Backbone interact. energy: -1.471
local terms energy: -204.157068
where:
bonds (distance) C4'-P energy: -51.264
bonds (distance) P-C4' energy: -73.926
flat angles C4'-P-C4' energy: -47.003
flat angles P-C4'-P energy: -35.976
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: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1245.884698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.884698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.884698 (E_RNA)
where:
Base-Base interactions energy: -844.773
where: short stacking energy: -370.048
Base-Backbone interact. energy: -1.973
local terms energy: -399.138478
where:
bonds (distance) C4'-P energy: -71.948
bonds (distance) P-C4' energy: -73.543
flat angles C4'-P-C4' energy: -80.634
flat angles P-C4'-P energy: -58.478
tors. eta vs tors. theta energy: -114.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1205.827479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.827479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.827479 (E_RNA)
where:
Base-Base interactions energy: -817.628
where: short stacking energy: -338.821
Base-Backbone interact. energy: 1.229
local terms energy: -389.428044
where:
bonds (distance) C4'-P energy: -64.868
bonds (distance) P-C4' energy: -74.046
flat angles C4'-P-C4' energy: -85.466
flat angles P-C4'-P energy: -53.117
tors. eta vs tors. theta energy: -111.931
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: 3, replica: 7
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1139.616165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.616165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.616165 (E_RNA)
where:
Base-Base interactions energy: -780.510
where: short stacking energy: -323.776
Base-Backbone interact. energy: 0.836
local terms energy: -359.942888
where:
bonds (distance) C4'-P energy: -76.441
bonds (distance) P-C4' energy: -68.546
flat angles C4'-P-C4' energy: -76.971
flat angles P-C4'-P energy: -49.086
tors. eta vs tors. theta energy: -88.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1060.419048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.419048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.419048 (E_RNA)
where:
Base-Base interactions energy: -706.675
where: short stacking energy: -313.588
Base-Backbone interact. energy: -1.812
local terms energy: -351.931568
where:
bonds (distance) C4'-P energy: -64.052
bonds (distance) P-C4' energy: -77.951
flat angles C4'-P-C4' energy: -60.363
flat angles P-C4'-P energy: -52.653
tors. eta vs tors. theta energy: -96.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1010.969029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.969029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.969029 (E_RNA)
where:
Base-Base interactions energy: -674.146
where: short stacking energy: -295.015
Base-Backbone interact. energy: -0.278
local terms energy: -336.544903
where:
bonds (distance) C4'-P energy: -56.965
bonds (distance) P-C4' energy: -71.068
flat angles C4'-P-C4' energy: -75.167
flat angles P-C4'-P energy: -42.471
tors. eta vs tors. theta energy: -90.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -886.868191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.868191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.868191 (E_RNA)
where:
Base-Base interactions energy: -600.125
where: short stacking energy: -233.638
Base-Backbone interact. energy: -1.411
local terms energy: -285.332025
where:
bonds (distance) C4'-P energy: -66.779
bonds (distance) P-C4' energy: -70.814
flat angles C4'-P-C4' energy: -60.503
flat angles P-C4'-P energy: -40.793
tors. eta vs tors. theta energy: -46.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -784.783952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.783952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.783952 (E_RNA)
where:
Base-Base interactions energy: -520.770
where: short stacking energy: -229.518
Base-Backbone interact. energy: -0.818
local terms energy: -263.195754
where:
bonds (distance) C4'-P energy: -59.616
bonds (distance) P-C4' energy: -60.381
flat angles C4'-P-C4' energy: -57.259
flat angles P-C4'-P energy: -32.265
tors. eta vs tors. theta energy: -53.676
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: 10
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -763.421997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.421997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.421997 (E_RNA)
where:
Base-Base interactions energy: -478.743
where: short stacking energy: -229.234
Base-Backbone interact. energy: -1.216
local terms energy: -283.462796
where:
bonds (distance) C4'-P energy: -64.923
bonds (distance) P-C4' energy: -65.929
flat angles C4'-P-C4' energy: -57.859
flat angles P-C4'-P energy: -28.702
tors. eta vs tors. theta energy: -66.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -390.996055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.996055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.996055 (E_RNA)
where:
Base-Base interactions energy: -190.421
where: short stacking energy: -115.192
Base-Backbone interact. energy: -1.713
local terms energy: -198.861315
where:
bonds (distance) C4'-P energy: -51.346
bonds (distance) P-C4' energy: -62.492
flat angles C4'-P-C4' energy: -67.834
flat angles P-C4'-P energy: -25.159
tors. eta vs tors. theta energy: 7.971
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: 6
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -293.202300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.202300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.202300 (E_RNA)
where:
Base-Base interactions energy: -113.918
where: short stacking energy: -74.990
Base-Backbone interact. energy: 2.947
local terms energy: -182.231718
where:
bonds (distance) C4'-P energy: -57.977
bonds (distance) P-C4' energy: -54.624
flat angles C4'-P-C4' energy: -65.327
flat angles P-C4'-P energy: -23.833
tors. eta vs tors. theta energy: 19.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1249.217282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.217282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.217282 (E_RNA)
where:
Base-Base interactions energy: -848.902
where: short stacking energy: -377.751
Base-Backbone interact. energy: -2.318
local terms energy: -397.996716
where:
bonds (distance) C4'-P energy: -71.413
bonds (distance) P-C4' energy: -72.167
flat angles C4'-P-C4' energy: -84.364
flat angles P-C4'-P energy: -57.893
tors. eta vs tors. theta energy: -112.160
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: 7
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1175.741409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.741409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.741409 (E_RNA)
where:
Base-Base interactions energy: -817.263
where: short stacking energy: -341.768
Base-Backbone interact. energy: 0.363
local terms energy: -358.841008
where:
bonds (distance) C4'-P energy: -69.168
bonds (distance) P-C4' energy: -64.831
flat angles C4'-P-C4' energy: -76.595
flat angles P-C4'-P energy: -50.784
tors. eta vs tors. theta energy: -97.463
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: 9
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1169.705081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.705081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.705081 (E_RNA)
where:
Base-Base interactions energy: -811.231
where: short stacking energy: -344.184
Base-Backbone interact. energy: 2.739
local terms energy: -361.213721
where:
bonds (distance) C4'-P energy: -61.533
bonds (distance) P-C4' energy: -74.726
flat angles C4'-P-C4' energy: -81.288
flat angles P-C4'-P energy: -47.270
tors. eta vs tors. theta energy: -96.397
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: 3
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1065.744000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.744000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.744000 (E_RNA)
where:
Base-Base interactions energy: -730.894
where: short stacking energy: -308.958
Base-Backbone interact. energy: -0.458
local terms energy: -334.391655
where:
bonds (distance) C4'-P energy: -68.271
bonds (distance) P-C4' energy: -49.968
flat angles C4'-P-C4' energy: -74.335
flat angles P-C4'-P energy: -55.006
tors. eta vs tors. theta energy: -86.811
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: 5
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1010.108429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.108429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.108429 (E_RNA)
where:
Base-Base interactions energy: -667.168
where: short stacking energy: -302.209
Base-Backbone interact. energy: -0.069
local terms energy: -342.871033
where:
bonds (distance) C4'-P energy: -68.495
bonds (distance) P-C4' energy: -62.215
flat angles C4'-P-C4' energy: -70.401
flat angles P-C4'-P energy: -54.981
tors. eta vs tors. theta energy: -86.780
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: 2
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -869.264780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.264780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.264780 (E_RNA)
where:
Base-Base interactions energy: -590.339
where: short stacking energy: -255.775
Base-Backbone interact. energy: 1.341
local terms energy: -280.266461
where:
bonds (distance) C4'-P energy: -48.306
bonds (distance) P-C4' energy: -70.553
flat angles C4'-P-C4' energy: -64.741
flat angles P-C4'-P energy: -43.731
tors. eta vs tors. theta energy: -52.934
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: 4
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -797.811250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.811250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.811250 (E_RNA)
where:
Base-Base interactions energy: -527.370
where: short stacking energy: -225.505
Base-Backbone interact. energy: -0.117
local terms energy: -270.324719
where:
bonds (distance) C4'-P energy: -60.244
bonds (distance) P-C4' energy: -56.351
flat angles C4'-P-C4' energy: -61.745
flat angles P-C4'-P energy: -41.177
tors. eta vs tors. theta energy: -50.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -746.569431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.569431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.569431 (E_RNA)
where:
Base-Base interactions energy: -477.459
where: short stacking energy: -219.160
Base-Backbone interact. energy: -0.463
local terms energy: -268.647964
where:
bonds (distance) C4'-P energy: -65.549
bonds (distance) P-C4' energy: -55.959
flat angles C4'-P-C4' energy: -69.628
flat angles P-C4'-P energy: -34.555
tors. eta vs tors. theta energy: -42.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -377.611225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.611225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.611225 (E_RNA)
where:
Base-Base interactions energy: -150.177
where: short stacking energy: -84.327
Base-Backbone interact. energy: -0.852
local terms energy: -226.582460
where:
bonds (distance) C4'-P energy: -56.345
bonds (distance) P-C4' energy: -65.868
flat angles C4'-P-C4' energy: -59.557
flat angles P-C4'-P energy: -45.565
tors. eta vs tors. theta energy: 0.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -279.816028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.816028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.816028 (E_RNA)
where:
Base-Base interactions energy: -116.410
where: short stacking energy: -73.717
Base-Backbone interact. energy: -0.654
local terms energy: -162.751717
where:
bonds (distance) C4'-P energy: -53.453
bonds (distance) P-C4' energy: -61.659
flat angles C4'-P-C4' energy: -45.314
flat angles P-C4'-P energy: -30.157
tors. eta vs tors. theta energy: 27.832
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: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1276.265564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.265564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.265564 (E_RNA)
where:
Base-Base interactions energy: -868.618
where: short stacking energy: -375.989
Base-Backbone interact. energy: -0.217
local terms energy: -407.430956
where:
bonds (distance) C4'-P energy: -69.615
bonds (distance) P-C4' energy: -79.441
flat angles C4'-P-C4' energy: -85.081
flat angles P-C4'-P energy: -53.986
tors. eta vs tors. theta energy: -119.308
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: 7
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1190.210801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.210801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.210801 (E_RNA)
where:
Base-Base interactions energy: -823.757
where: short stacking energy: -321.140
Base-Backbone interact. energy: -5.260
local terms energy: -361.193447
where:
bonds (distance) C4'-P energy: -71.585
bonds (distance) P-C4' energy: -62.070
flat angles C4'-P-C4' energy: -84.719
flat angles P-C4'-P energy: -48.717
tors. eta vs tors. theta energy: -94.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1147.722045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.722045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.722045 (E_RNA)
where:
Base-Base interactions energy: -754.090
where: short stacking energy: -320.589
Base-Backbone interact. energy: -0.629
local terms energy: -393.002153
where:
bonds (distance) C4'-P energy: -71.109
bonds (distance) P-C4' energy: -88.217
flat angles C4'-P-C4' energy: -81.037
flat angles P-C4'-P energy: -57.100
tors. eta vs tors. theta energy: -95.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1090.333008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.333008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.333008 (E_RNA)
where:
Base-Base interactions energy: -701.520
where: short stacking energy: -311.393
Base-Backbone interact. energy: -2.010
local terms energy: -386.802883
where:
bonds (distance) C4'-P energy: -75.121
bonds (distance) P-C4' energy: -74.080
flat angles C4'-P-C4' energy: -84.451
flat angles P-C4'-P energy: -55.944
tors. eta vs tors. theta energy: -97.207
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: 148
Temperature: 1.100000
Total energy: -1006.946124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.946124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.946124 (E_RNA)
where:
Base-Base interactions energy: -664.017
where: short stacking energy: -286.668
Base-Backbone interact. energy: 0.151
local terms energy: -343.079802
where:
bonds (distance) C4'-P energy: -64.558
bonds (distance) P-C4' energy: -65.595
flat angles C4'-P-C4' energy: -77.313
flat angles P-C4'-P energy: -56.412
tors. eta vs tors. theta energy: -79.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -921.602283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.602283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.602283 (E_RNA)
where:
Base-Base interactions energy: -606.874
where: short stacking energy: -279.824
Base-Backbone interact. energy: 1.025
local terms energy: -315.752708
where:
bonds (distance) C4'-P energy: -63.959
bonds (distance) P-C4' energy: -68.935
flat angles C4'-P-C4' energy: -69.567
flat angles P-C4'-P energy: -48.322
tors. eta vs tors. theta energy: -64.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -831.654697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.654697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.654697 (E_RNA)
where:
Base-Base interactions energy: -539.107
where: short stacking energy: -230.141
Base-Backbone interact. energy: -1.972
local terms energy: -290.575857
where:
bonds (distance) C4'-P energy: -65.160
bonds (distance) P-C4' energy: -66.764
flat angles C4'-P-C4' energy: -59.436
flat angles P-C4'-P energy: -45.816
tors. eta vs tors. theta energy: -53.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -760.588214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.588214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.588214 (E_RNA)
where:
Base-Base interactions energy: -479.205
where: short stacking energy: -223.895
Base-Backbone interact. energy: 4.130
local terms energy: -285.513797
where:
bonds (distance) C4'-P energy: -69.711
bonds (distance) P-C4' energy: -57.386
flat angles C4'-P-C4' energy: -64.118
flat angles P-C4'-P energy: -38.719
tors. eta vs tors. theta energy: -55.579
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: 8
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -389.608721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.608721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.608721 (E_RNA)
where:
Base-Base interactions energy: -184.667
where: short stacking energy: -127.352
Base-Backbone interact. energy: 2.867
local terms energy: -207.808862
where:
bonds (distance) C4'-P energy: -53.813
bonds (distance) P-C4' energy: -58.891
flat angles C4'-P-C4' energy: -59.567
flat angles P-C4'-P energy: -20.381
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: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -322.789217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.789217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.789217 (E_RNA)
where:
Base-Base interactions energy: -134.905
where: short stacking energy: -94.471
Base-Backbone interact. energy: -1.024
local terms energy: -186.860686
where:
bonds (distance) C4'-P energy: -55.163
bonds (distance) P-C4' energy: -64.993
flat angles C4'-P-C4' energy: -47.327
flat angles P-C4'-P energy: -30.275
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: 1, replica: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1253.423607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.423607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.423607 (E_RNA)
where:
Base-Base interactions energy: -852.655
where: short stacking energy: -370.216
Base-Backbone interact. energy: 0.022
local terms energy: -400.790731
where:
bonds (distance) C4'-P energy: -73.868
bonds (distance) P-C4' energy: -79.444
flat angles C4'-P-C4' energy: -76.098
flat angles P-C4'-P energy: -54.089
tors. eta vs tors. theta energy: -117.292
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: 7
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1184.381770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.381770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.381770 (E_RNA)
where:
Base-Base interactions energy: -804.931
where: short stacking energy: -322.618
Base-Backbone interact. energy: -2.434
local terms energy: -377.016644
where:
bonds (distance) C4'-P energy: -75.293
bonds (distance) P-C4' energy: -73.509
flat angles C4'-P-C4' energy: -80.174
flat angles P-C4'-P energy: -52.679
tors. eta vs tors. theta energy: -95.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1136.381602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.381602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.381602 (E_RNA)
where:
Base-Base interactions energy: -757.467
where: short stacking energy: -324.369
Base-Backbone interact. energy: -1.828
local terms energy: -377.086751
where:
bonds (distance) C4'-P energy: -68.927
bonds (distance) P-C4' energy: -72.795
flat angles C4'-P-C4' energy: -81.986
flat angles P-C4'-P energy: -52.233
tors. eta vs tors. theta energy: -101.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1082.853819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.853819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.853819 (E_RNA)
where:
Base-Base interactions energy: -714.526
where: short stacking energy: -298.903
Base-Backbone interact. energy: -0.361
local terms energy: -367.966019
where:
bonds (distance) C4'-P energy: -66.954
bonds (distance) P-C4' energy: -75.707
flat angles C4'-P-C4' energy: -77.801
flat angles P-C4'-P energy: -56.429
tors. eta vs tors. theta energy: -91.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1030.530326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.530326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.530326 (E_RNA)
where:
Base-Base interactions energy: -672.123
where: short stacking energy: -292.870
Base-Backbone interact. energy: 2.426
local terms energy: -360.832512
where:
bonds (distance) C4'-P energy: -72.372
bonds (distance) P-C4' energy: -71.710
flat angles C4'-P-C4' energy: -85.221
flat angles P-C4'-P energy: -51.628
tors. eta vs tors. theta energy: -79.901
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: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -840.311659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.311659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.311659 (E_RNA)
where:
Base-Base interactions energy: -538.065
where: short stacking energy: -244.455
Base-Backbone interact. energy: -1.647
local terms energy: -300.600120
where:
bonds (distance) C4'-P energy: -64.178
bonds (distance) P-C4' energy: -68.331
flat angles C4'-P-C4' energy: -61.779
flat angles P-C4'-P energy: -45.082
tors. eta vs tors. theta energy: -61.230
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: 2
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -831.811559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.811559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.811559 (E_RNA)
where:
Base-Base interactions energy: -582.180
where: short stacking energy: -235.622
Base-Backbone interact. energy: -0.675
local terms energy: -248.956557
where:
bonds (distance) C4'-P energy: -60.200
bonds (distance) P-C4' energy: -60.136
flat angles C4'-P-C4' energy: -50.265
flat angles P-C4'-P energy: -39.028
tors. eta vs tors. theta energy: -39.328
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: 8, replica: 10
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -747.433572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.433572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.433572 (E_RNA)
where:
Base-Base interactions energy: -472.539
where: short stacking energy: -210.585
Base-Backbone interact. energy: -2.235
local terms energy: -272.660235
where:
bonds (distance) C4'-P energy: -53.379
bonds (distance) P-C4' energy: -61.990
flat angles C4'-P-C4' energy: -69.643
flat angles P-C4'-P energy: -29.478
tors. eta vs tors. theta energy: -58.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -431.360438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.360438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.360438 (E_RNA)
where:
Base-Base interactions energy: -219.981
where: short stacking energy: -146.703
Base-Backbone interact. energy: 2.226
local terms energy: -213.605392
where:
bonds (distance) C4'-P energy: -47.317
bonds (distance) P-C4' energy: -62.215
flat angles C4'-P-C4' energy: -60.546
flat angles P-C4'-P energy: -38.767
tors. eta vs tors. theta energy: -4.761
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: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -296.100891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.100891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.100891 (E_RNA)
where:
Base-Base interactions energy: -113.506
where: short stacking energy: -90.806
Base-Backbone interact. energy: -0.848
local terms energy: -181.747133
where:
bonds (distance) C4'-P energy: -50.278
bonds (distance) P-C4' energy: -62.991
flat angles C4'-P-C4' energy: -56.044
flat angles P-C4'-P energy: -20.509
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: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1263.178897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.178897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.178897 (E_RNA)
where:
Base-Base interactions energy: -861.968
where: short stacking energy: -391.889
Base-Backbone interact. energy: -2.963
local terms energy: -398.248233
where:
bonds (distance) C4'-P energy: -66.786
bonds (distance) P-C4' energy: -78.914
flat angles C4'-P-C4' energy: -77.585
flat angles P-C4'-P energy: -57.572
tors. eta vs tors. theta energy: -117.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1199.208364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.208364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.208364 (E_RNA)
where:
Base-Base interactions energy: -817.999
where: short stacking energy: -357.651
Base-Backbone interact. energy: -0.233
local terms energy: -380.976532
where:
bonds (distance) C4'-P energy: -72.020
bonds (distance) P-C4' energy: -76.623
flat angles C4'-P-C4' energy: -78.798
flat angles P-C4'-P energy: -58.661
tors. eta vs tors. theta energy: -94.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -1196.842484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.842484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.842484 (E_RNA)
where:
Base-Base interactions energy: -813.730
where: short stacking energy: -345.369
Base-Backbone interact. energy: -0.361
local terms energy: -382.750751
where:
bonds (distance) C4'-P energy: -63.141
bonds (distance) P-C4' energy: -74.628
flat angles C4'-P-C4' energy: -83.510
flat angles P-C4'-P energy: -55.414
tors. eta vs tors. theta energy: -106.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1082.611494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.611494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.611494 (E_RNA)
where:
Base-Base interactions energy: -723.514
where: short stacking energy: -321.097
Base-Backbone interact. energy: -1.257
local terms energy: -357.840746
where:
bonds (distance) C4'-P energy: -72.088
bonds (distance) P-C4' energy: -64.246
flat angles C4'-P-C4' energy: -73.496
flat angles P-C4'-P energy: -51.615
tors. eta vs tors. theta energy: -96.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1007.185338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.185338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.185338 (E_RNA)
where:
Base-Base interactions energy: -673.530
where: short stacking energy: -278.947
Base-Backbone interact. energy: -2.562
local terms energy: -331.093616
where:
bonds (distance) C4'-P energy: -67.360
bonds (distance) P-C4' energy: -61.153
flat angles C4'-P-C4' energy: -68.386
flat angles P-C4'-P energy: -51.125
tors. eta vs tors. theta energy: -83.069
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: 6, replica: 4
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -802.185840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.185840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.185840 (E_RNA)
where:
Base-Base interactions energy: -527.985
where: short stacking energy: -220.918
Base-Backbone interact. energy: -3.367
local terms energy: -270.833292
where:
bonds (distance) C4'-P energy: -74.329
bonds (distance) P-C4' energy: -71.517
flat angles C4'-P-C4' energy: -53.905
flat angles P-C4'-P energy: -31.925
tors. eta vs tors. theta energy: -39.158
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: 7, replica: 10
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -801.618145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.618145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.618145 (E_RNA)
where:
Base-Base interactions energy: -514.688
where: short stacking energy: -237.371
Base-Backbone interact. energy: -1.610
local terms energy: -285.320422
where:
bonds (distance) C4'-P energy: -61.822
bonds (distance) P-C4' energy: -57.663
flat angles C4'-P-C4' energy: -67.589
flat angles P-C4'-P energy: -46.469
tors. eta vs tors. theta energy: -51.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -664.156179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.156179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.156179 (E_RNA)
where:
Base-Base interactions energy: -408.651
where: short stacking energy: -165.112
Base-Backbone interact. energy: -0.983
local terms energy: -254.522408
where:
bonds (distance) C4'-P energy: -69.257
bonds (distance) P-C4' energy: -59.222
flat angles C4'-P-C4' energy: -60.235
flat angles P-C4'-P energy: -37.629
tors. eta vs tors. theta energy: -28.180
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: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -326.781578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.781578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.781578 (E_RNA)
where:
Base-Base interactions energy: -137.750
where: short stacking energy: -102.945
Base-Backbone interact. energy: 1.869
local terms energy: -190.900844
where:
bonds (distance) C4'-P energy: -56.478
bonds (distance) P-C4' energy: -55.122
flat angles C4'-P-C4' energy: -50.478
flat angles P-C4'-P energy: -26.061
tors. eta vs tors. theta energy: -2.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -346.626908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.626908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.626908 (E_RNA)
where:
Base-Base interactions energy: -145.923
where: short stacking energy: -82.746
Base-Backbone interact. energy: -0.537
local terms energy: -200.166519
where:
bonds (distance) C4'-P energy: -66.220
bonds (distance) P-C4' energy: -60.521
flat angles C4'-P-C4' energy: -51.657
flat angles P-C4'-P energy: -30.722
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: 1, replica: 1
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1264.047034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.047034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.047034 (E_RNA)
where:
Base-Base interactions energy: -852.374
where: short stacking energy: -376.353
Base-Backbone interact. energy: -2.662
local terms energy: -409.011276
where:
bonds (distance) C4'-P energy: -69.246
bonds (distance) P-C4' energy: -81.421
flat angles C4'-P-C4' energy: -89.181
flat angles P-C4'-P energy: -60.171
tors. eta vs tors. theta energy: -108.992
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: 7
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1182.038967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.038967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.038967 (E_RNA)
where:
Base-Base interactions energy: -827.688
where: short stacking energy: -355.913
Base-Backbone interact. energy: 1.213
local terms energy: -355.564446
where:
bonds (distance) C4'-P energy: -64.058
bonds (distance) P-C4' energy: -61.151
flat angles C4'-P-C4' energy: -71.584
flat angles P-C4'-P energy: -50.605
tors. eta vs tors. theta energy: -108.166
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: 151
Temperature: 1.000000
Total energy: -1211.708581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.708581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.708581 (E_RNA)
where:
Base-Base interactions energy: -836.758
where: short stacking energy: -348.584
Base-Backbone interact. energy: -1.261
local terms energy: -373.689215
where:
bonds (distance) C4'-P energy: -66.557
bonds (distance) P-C4' energy: -67.043
flat angles C4'-P-C4' energy: -77.499
flat angles P-C4'-P energy: -58.163
tors. eta vs tors. theta energy: -104.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1089.552913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.552913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.552913 (E_RNA)
where:
Base-Base interactions energy: -708.489
where: short stacking energy: -320.162
Base-Backbone interact. energy: 1.768
local terms energy: -382.832208
where:
bonds (distance) C4'-P energy: -75.579
bonds (distance) P-C4' energy: -78.691
flat angles C4'-P-C4' energy: -81.280
flat angles P-C4'-P energy: -51.481
tors. eta vs tors. theta energy: -95.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -986.002243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.002243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.002243 (E_RNA)
where:
Base-Base interactions energy: -665.233
where: short stacking energy: -292.089
Base-Backbone interact. energy: -1.963
local terms energy: -318.806024
where:
bonds (distance) C4'-P energy: -60.268
bonds (distance) P-C4' energy: -80.583
flat angles C4'-P-C4' energy: -73.099
flat angles P-C4'-P energy: -28.126
tors. eta vs tors. theta energy: -76.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -834.006298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.006298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.006298 (E_RNA)
where:
Base-Base interactions energy: -532.666
where: short stacking energy: -236.379
Base-Backbone interact. energy: -0.776
local terms energy: -300.564153
where:
bonds (distance) C4'-P energy: -62.784
bonds (distance) P-C4' energy: -72.696
flat angles C4'-P-C4' energy: -72.850
flat angles P-C4'-P energy: -37.725
tors. eta vs tors. theta energy: -54.510
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: 151
Temperature: 1.200000
Total energy: -807.264692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.264692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.264692 (E_RNA)
where:
Base-Base interactions energy: -496.337
where: short stacking energy: -200.780
Base-Backbone interact. energy: -3.991
local terms energy: -306.936363
where:
bonds (distance) C4'-P energy: -72.327
bonds (distance) P-C4' energy: -70.560
flat angles C4'-P-C4' energy: -66.881
flat angles P-C4'-P energy: -42.903
tors. eta vs tors. theta energy: -54.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -664.598408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.598408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.598408 (E_RNA)
where:
Base-Base interactions energy: -417.538
where: short stacking energy: -184.134
Base-Backbone interact. energy: -2.301
local terms energy: -244.759687
where:
bonds (distance) C4'-P energy: -70.273
bonds (distance) P-C4' energy: -64.766
flat angles C4'-P-C4' energy: -57.881
flat angles P-C4'-P energy: -27.631
tors. eta vs tors. theta energy: -24.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -311.472400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.472400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.472400 (E_RNA)
where:
Base-Base interactions energy: -109.154
where: short stacking energy: -86.950
Base-Backbone interact. energy: 3.220
local terms energy: -205.538651
where:
bonds (distance) C4'-P energy: -67.997
bonds (distance) P-C4' energy: -70.059
flat angles C4'-P-C4' energy: -44.744
flat angles P-C4'-P energy: -21.442
tors. eta vs tors. theta energy: -1.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -364.804351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.804351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.804351 (E_RNA)
where:
Base-Base interactions energy: -167.315
where: short stacking energy: -93.942
Base-Backbone interact. energy: 4.540
local terms energy: -202.028735
where:
bonds (distance) C4'-P energy: -58.350
bonds (distance) P-C4' energy: -54.878
flat angles C4'-P-C4' energy: -58.790
flat angles P-C4'-P energy: -36.211
tors. eta vs tors. theta energy: 6.199
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: 1
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1251.895058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.895058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.895058 (E_RNA)
where:
Base-Base interactions energy: -852.468
where: short stacking energy: -373.310
Base-Backbone interact. energy: -3.202
local terms energy: -396.225271
where:
bonds (distance) C4'-P energy: -71.644
bonds (distance) P-C4' energy: -67.999
flat angles C4'-P-C4' energy: -83.878
flat angles P-C4'-P energy: -61.714
tors. eta vs tors. theta energy: -110.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1190.172558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.172558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.172558 (E_RNA)
where:
Base-Base interactions energy: -826.051
where: short stacking energy: -340.040
Base-Backbone interact. energy: -1.606
local terms energy: -362.515234
where:
bonds (distance) C4'-P energy: -75.913
bonds (distance) P-C4' energy: -74.062
flat angles C4'-P-C4' energy: -82.979
flat angles P-C4'-P energy: -42.571
tors. eta vs tors. theta energy: -86.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1194.802430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.802430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.802430 (E_RNA)
where:
Base-Base interactions energy: -811.695
where: short stacking energy: -344.272
Base-Backbone interact. energy: 1.008
local terms energy: -384.115591
where:
bonds (distance) C4'-P energy: -72.901
bonds (distance) P-C4' energy: -72.394
flat angles C4'-P-C4' energy: -80.176
flat angles P-C4'-P energy: -54.037
tors. eta vs tors. theta energy: -104.607
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: 3
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -1095.520523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.520523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.520523 (E_RNA)
where:
Base-Base interactions energy: -726.285
where: short stacking energy: -321.376
Base-Backbone interact. energy: -0.392
local terms energy: -368.843471
where:
bonds (distance) C4'-P energy: -62.485
bonds (distance) P-C4' energy: -64.810
flat angles C4'-P-C4' energy: -83.886
flat angles P-C4'-P energy: -58.468
tors. eta vs tors. theta energy: -99.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -980.096238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.096238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.096238 (E_RNA)
where:
Base-Base interactions energy: -673.254
where: short stacking energy: -281.355
Base-Backbone interact. energy: 3.102
local terms energy: -309.944211
where:
bonds (distance) C4'-P energy: -62.622
bonds (distance) P-C4' energy: -61.783
flat angles C4'-P-C4' energy: -75.625
flat angles P-C4'-P energy: -40.068
tors. eta vs tors. theta energy: -69.846
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: 10
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -880.450297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.450297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.450297 (E_RNA)
where:
Base-Base interactions energy: -571.642
where: short stacking energy: -242.706
Base-Backbone interact. energy: 1.542
local terms energy: -310.350446
where:
bonds (distance) C4'-P energy: -69.218
bonds (distance) P-C4' energy: -76.124
flat angles C4'-P-C4' energy: -62.928
flat angles P-C4'-P energy: -42.083
tors. eta vs tors. theta energy: -59.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -816.987197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.987197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.987197 (E_RNA)
where:
Base-Base interactions energy: -538.924
where: short stacking energy: -244.649
Base-Backbone interact. energy: -2.022
local terms energy: -276.042040
where:
bonds (distance) C4'-P energy: -61.027
bonds (distance) P-C4' energy: -56.168
flat angles C4'-P-C4' energy: -65.300
flat angles P-C4'-P energy: -38.060
tors. eta vs tors. theta energy: -55.487
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: 2
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -640.372593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.372593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.372593 (E_RNA)
where:
Base-Base interactions energy: -386.320
where: short stacking energy: -160.899
Base-Backbone interact. energy: -0.456
local terms energy: -253.597153
where:
bonds (distance) C4'-P energy: -64.726
bonds (distance) P-C4' energy: -63.377
flat angles C4'-P-C4' energy: -55.940
flat angles P-C4'-P energy: -39.111
tors. eta vs tors. theta energy: -30.442
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: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -388.763367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.763367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.763367 (E_RNA)
where:
Base-Base interactions energy: -178.169
where: short stacking energy: -100.265
Base-Backbone interact. energy: -1.252
local terms energy: -209.341710
where:
bonds (distance) C4'-P energy: -66.697
bonds (distance) P-C4' energy: -63.848
flat angles C4'-P-C4' energy: -56.994
flat angles P-C4'-P energy: -17.009
tors. eta vs tors. theta energy: -4.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -288.937774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.937774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.937774 (E_RNA)
where:
Base-Base interactions energy: -108.564
where: short stacking energy: -92.543
Base-Backbone interact. energy: 9.705
local terms energy: -190.078614
where:
bonds (distance) C4'-P energy: -48.396
bonds (distance) P-C4' energy: -60.236
flat angles C4'-P-C4' energy: -58.522
flat angles P-C4'-P energy: -26.582
tors. eta vs tors. theta energy: 3.657
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: 1
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1262.140445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.140445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.140445 (E_RNA)
where:
Base-Base interactions energy: -853.262
where: short stacking energy: -363.595
Base-Backbone interact. energy: -0.150
local terms energy: -408.728274
where:
bonds (distance) C4'-P energy: -82.173
bonds (distance) P-C4' energy: -74.561
flat angles C4'-P-C4' energy: -87.334
flat angles P-C4'-P energy: -51.667
tors. eta vs tors. theta energy: -112.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1238.539412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.539412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.539412 (E_RNA)
where:
Base-Base interactions energy: -844.945
where: short stacking energy: -341.557
Base-Backbone interact. energy: -2.080
local terms energy: -391.514942
where:
bonds (distance) C4'-P energy: -70.225
bonds (distance) P-C4' energy: -71.094
flat angles C4'-P-C4' energy: -85.099
flat angles P-C4'-P energy: -44.064
tors. eta vs tors. theta energy: -121.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1108.130165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.130165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.130165 (E_RNA)
where:
Base-Base interactions energy: -752.207
where: short stacking energy: -314.864
Base-Backbone interact. energy: 2.406
local terms energy: -358.328994
where:
bonds (distance) C4'-P energy: -63.491
bonds (distance) P-C4' energy: -73.714
flat angles C4'-P-C4' energy: -83.103
flat angles P-C4'-P energy: -56.203
tors. eta vs tors. theta energy: -81.818
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: 4, replica: 3
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1086.677670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.677670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.677670 (E_RNA)
where:
Base-Base interactions energy: -733.871
where: short stacking energy: -310.087
Base-Backbone interact. energy: 0.710
local terms energy: -353.516673
where:
bonds (distance) C4'-P energy: -60.810
bonds (distance) P-C4' energy: -72.232
flat angles C4'-P-C4' energy: -78.581
flat angles P-C4'-P energy: -48.736
tors. eta vs tors. theta energy: -93.159
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: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1006.467334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.467334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.467334 (E_RNA)
where:
Base-Base interactions energy: -681.970
where: short stacking energy: -270.840
Base-Backbone interact. energy: 2.642
local terms energy: -327.139310
where:
bonds (distance) C4'-P energy: -67.295
bonds (distance) P-C4' energy: -67.064
flat angles C4'-P-C4' energy: -64.562
flat angles P-C4'-P energy: -48.651
tors. eta vs tors. theta energy: -79.567
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: 4
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -839.526150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.526150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.526150 (E_RNA)
where:
Base-Base interactions energy: -533.023
where: short stacking energy: -221.001
Base-Backbone interact. energy: -1.649
local terms energy: -304.853775
where:
bonds (distance) C4'-P energy: -68.234
bonds (distance) P-C4' energy: -75.418
flat angles C4'-P-C4' energy: -61.252
flat angles P-C4'-P energy: -47.372
tors. eta vs tors. theta energy: -52.577
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: 7, replica: 10
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -821.627336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.627336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.627336 (E_RNA)
where:
Base-Base interactions energy: -529.089
where: short stacking energy: -233.669
Base-Backbone interact. energy: -2.215
local terms energy: -290.323989
where:
bonds (distance) C4'-P energy: -62.714
bonds (distance) P-C4' energy: -65.955
flat angles C4'-P-C4' energy: -69.084
flat angles P-C4'-P energy: -38.590
tors. eta vs tors. theta energy: -53.981
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: 2
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -634.154322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.154322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.154322 (E_RNA)
where:
Base-Base interactions energy: -400.107
where: short stacking energy: -167.548
Base-Backbone interact. energy: 0.200
local terms energy: -234.247008
where:
bonds (distance) C4'-P energy: -52.820
bonds (distance) P-C4' energy: -56.791
flat angles C4'-P-C4' energy: -63.097
flat angles P-C4'-P energy: -38.750
tors. eta vs tors. theta energy: -22.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -377.416950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.416950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.416950 (E_RNA)
where:
Base-Base interactions energy: -151.660
where: short stacking energy: -99.548
Base-Backbone interact. energy: -2.581
local terms energy: -223.176352
where:
bonds (distance) C4'-P energy: -59.614
bonds (distance) P-C4' energy: -60.917
flat angles C4'-P-C4' energy: -67.835
flat angles P-C4'-P energy: -37.031
tors. eta vs tors. theta energy: 2.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -313.424318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.424318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.424318 (E_RNA)
where:
Base-Base interactions energy: -103.523
where: short stacking energy: -98.577
Base-Backbone interact. energy: -0.631
local terms energy: -209.270414
where:
bonds (distance) C4'-P energy: -60.041
bonds (distance) P-C4' energy: -56.805
flat angles C4'-P-C4' energy: -54.087
flat angles P-C4'-P energy: -39.842
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: 1, replica: 1
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1241.174525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.174525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.174525 (E_RNA)
where:
Base-Base interactions energy: -841.941
where: short stacking energy: -354.846
Base-Backbone interact. energy: -0.774
local terms energy: -398.459928
where:
bonds (distance) C4'-P energy: -84.242
bonds (distance) P-C4' energy: -66.766
flat angles C4'-P-C4' energy: -81.571
flat angles P-C4'-P energy: -55.891
tors. eta vs tors. theta energy: -109.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1246.640484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.640484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.640484 (E_RNA)
where:
Base-Base interactions energy: -852.885
where: short stacking energy: -358.882
Base-Backbone interact. energy: -1.702
local terms energy: -392.053476
where:
bonds (distance) C4'-P energy: -72.982
bonds (distance) P-C4' energy: -68.519
flat angles C4'-P-C4' energy: -80.911
flat angles P-C4'-P energy: -53.167
tors. eta vs tors. theta energy: -116.474
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: 7
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1134.660941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.660941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.660941 (E_RNA)
where:
Base-Base interactions energy: -790.088
where: short stacking energy: -329.670
Base-Backbone interact. energy: -0.795
local terms energy: -343.778328
where:
bonds (distance) C4'-P energy: -68.395
bonds (distance) P-C4' energy: -67.075
flat angles C4'-P-C4' energy: -72.155
flat angles P-C4'-P energy: -47.405
tors. eta vs tors. theta energy: -88.749
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: 3
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -1100.513016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.513016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.513016 (E_RNA)
where:
Base-Base interactions energy: -739.805
where: short stacking energy: -305.254
Base-Backbone interact. energy: -2.435
local terms energy: -358.273203
where:
bonds (distance) C4'-P energy: -71.430
bonds (distance) P-C4' energy: -70.904
flat angles C4'-P-C4' energy: -73.022
flat angles P-C4'-P energy: -53.752
tors. eta vs tors. theta energy: -89.165
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: 5
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1012.583098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.583098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.583098 (E_RNA)
where:
Base-Base interactions energy: -665.328
where: short stacking energy: -279.179
Base-Backbone interact. energy: -1.663
local terms energy: -345.591492
where:
bonds (distance) C4'-P energy: -66.617
bonds (distance) P-C4' energy: -79.102
flat angles C4'-P-C4' energy: -75.067
flat angles P-C4'-P energy: -52.982
tors. eta vs tors. theta energy: -71.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -876.185964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.185964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.185964 (E_RNA)
where:
Base-Base interactions energy: -556.375
where: short stacking energy: -243.177
Base-Backbone interact. energy: -2.922
local terms energy: -316.888650
where:
bonds (distance) C4'-P energy: -66.724
bonds (distance) P-C4' energy: -63.637
flat angles C4'-P-C4' energy: -71.616
flat angles P-C4'-P energy: -48.402
tors. eta vs tors. theta energy: -66.510
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: 10
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -808.167073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.167073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.167073 (E_RNA)
where:
Base-Base interactions energy: -518.493
where: short stacking energy: -231.963
Base-Backbone interact. energy: -0.826
local terms energy: -288.847672
where:
bonds (distance) C4'-P energy: -60.684
bonds (distance) P-C4' energy: -62.586
flat angles C4'-P-C4' energy: -60.578
flat angles P-C4'-P energy: -45.240
tors. eta vs tors. theta energy: -59.761
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: 2
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -664.625157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.625157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.625157 (E_RNA)
where:
Base-Base interactions energy: -407.863
where: short stacking energy: -189.918
Base-Backbone interact. energy: -1.431
local terms energy: -255.331562
where:
bonds (distance) C4'-P energy: -43.651
bonds (distance) P-C4' energy: -64.058
flat angles C4'-P-C4' energy: -62.370
flat angles P-C4'-P energy: -43.632
tors. eta vs tors. theta energy: -41.621
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: 9, replica: 8
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -393.541164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.541164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.541164 (E_RNA)
where:
Base-Base interactions energy: -186.698
where: short stacking energy: -111.519
Base-Backbone interact. energy: -3.581
local terms energy: -203.262730
where:
bonds (distance) C4'-P energy: -64.155
bonds (distance) P-C4' energy: -60.168
flat angles C4'-P-C4' energy: -51.552
flat angles P-C4'-P energy: -27.907
tors. eta vs tors. theta energy: 0.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -313.605548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.605548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.605548 (E_RNA)
where:
Base-Base interactions energy: -102.605
where: short stacking energy: -76.619
Base-Backbone interact. energy: 0.161
local terms energy: -211.161245
where:
bonds (distance) C4'-P energy: -53.659
bonds (distance) P-C4' energy: -57.950
flat angles C4'-P-C4' energy: -63.944
flat angles P-C4'-P energy: -31.268
tors. eta vs tors. theta energy: -4.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1254.438855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.438855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.438855 (E_RNA)
where:
Base-Base interactions energy: -853.545
where: short stacking energy: -378.355
Base-Backbone interact. energy: -1.460
local terms energy: -399.433375
where:
bonds (distance) C4'-P energy: -69.279
bonds (distance) P-C4' energy: -72.043
flat angles C4'-P-C4' energy: -90.254
flat angles P-C4'-P energy: -55.993
tors. eta vs tors. theta energy: -111.863
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: 9
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1248.673131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.673131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.673131 (E_RNA)
where:
Base-Base interactions energy: -848.000
where: short stacking energy: -370.153
Base-Backbone interact. energy: -0.621
local terms energy: -400.052343
where:
bonds (distance) C4'-P energy: -73.646
bonds (distance) P-C4' energy: -57.813
flat angles C4'-P-C4' energy: -88.239
flat angles P-C4'-P energy: -58.553
tors. eta vs tors. theta energy: -121.802
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: 7
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -1132.333617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.333617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.333617 (E_RNA)
where:
Base-Base interactions energy: -766.310
where: short stacking energy: -319.471
Base-Backbone interact. energy: -0.096
local terms energy: -365.927801
where:
bonds (distance) C4'-P energy: -71.271
bonds (distance) P-C4' energy: -68.967
flat angles C4'-P-C4' energy: -84.806
flat angles P-C4'-P energy: -51.059
tors. eta vs tors. theta energy: -89.825
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: 3
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1086.500813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.500813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.500813 (E_RNA)
where:
Base-Base interactions energy: -736.570
where: short stacking energy: -303.354
Base-Backbone interact. energy: 0.473
local terms energy: -350.403102
where:
bonds (distance) C4'-P energy: -70.851
bonds (distance) P-C4' energy: -63.633
flat angles C4'-P-C4' energy: -73.872
flat angles P-C4'-P energy: -56.367
tors. eta vs tors. theta energy: -85.680
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: 5
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1008.737316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.737316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.737316 (E_RNA)
where:
Base-Base interactions energy: -676.353
where: short stacking energy: -273.620
Base-Backbone interact. energy: -1.700
local terms energy: -330.684169
where:
bonds (distance) C4'-P energy: -76.101
bonds (distance) P-C4' energy: -71.627
flat angles C4'-P-C4' energy: -72.618
flat angles P-C4'-P energy: -40.378
tors. eta vs tors. theta energy: -69.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -820.569722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.569722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.569722 (E_RNA)
where:
Base-Base interactions energy: -523.230
where: short stacking energy: -232.205
Base-Backbone interact. energy: -3.470
local terms energy: -293.869808
where:
bonds (distance) C4'-P energy: -69.461
bonds (distance) P-C4' energy: -56.963
flat angles C4'-P-C4' energy: -68.191
flat angles P-C4'-P energy: -45.082
tors. eta vs tors. theta energy: -54.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -822.772591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.772591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.772591 (E_RNA)
where:
Base-Base interactions energy: -516.293
where: short stacking energy: -228.913
Base-Backbone interact. energy: -1.055
local terms energy: -305.425238
where:
bonds (distance) C4'-P energy: -55.483
bonds (distance) P-C4' energy: -70.068
flat angles C4'-P-C4' energy: -75.103
flat angles P-C4'-P energy: -49.653
tors. eta vs tors. theta energy: -55.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -675.138375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.138375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.138375 (E_RNA)
where:
Base-Base interactions energy: -414.701
where: short stacking energy: -183.358
Base-Backbone interact. energy: 1.197
local terms energy: -261.634609
where:
bonds (distance) C4'-P energy: -72.371
bonds (distance) P-C4' energy: -62.202
flat angles C4'-P-C4' energy: -69.847
flat angles P-C4'-P energy: -32.358
tors. eta vs tors. theta energy: -24.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -380.555282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.555282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.555282 (E_RNA)
where:
Base-Base interactions energy: -157.945
where: short stacking energy: -111.520
Base-Backbone interact. energy: -1.655
local terms energy: -220.955328
where:
bonds (distance) C4'-P energy: -65.365
bonds (distance) P-C4' energy: -65.728
flat angles C4'-P-C4' energy: -58.557
flat angles P-C4'-P energy: -24.426
tors. eta vs tors. theta energy: -6.880
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: 155
Temperature: 1.350000
Total energy: -302.040234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.040234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.040234 (E_RNA)
where:
Base-Base interactions energy: -104.854
where: short stacking energy: -103.261
Base-Backbone interact. energy: 2.056
local terms energy: -199.242125
where:
bonds (distance) C4'-P energy: -47.864
bonds (distance) P-C4' energy: -66.527
flat angles C4'-P-C4' energy: -56.091
flat angles P-C4'-P energy: -32.736
tors. eta vs tors. theta energy: 3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1258.597865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.597865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.597865 (E_RNA)
where:
Base-Base interactions energy: -857.380
where: short stacking energy: -370.281
Base-Backbone interact. energy: -2.712
local terms energy: -398.506120
where:
bonds (distance) C4'-P energy: -74.063
bonds (distance) P-C4' energy: -81.389
flat angles C4'-P-C4' energy: -76.968
flat angles P-C4'-P energy: -54.920
tors. eta vs tors. theta energy: -111.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1218.599329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.599329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.599329 (E_RNA)
where:
Base-Base interactions energy: -812.314
where: short stacking energy: -352.690
Base-Backbone interact. energy: -1.113
local terms energy: -405.171603
where:
bonds (distance) C4'-P energy: -71.996
bonds (distance) P-C4' energy: -78.031
flat angles C4'-P-C4' energy: -87.521
flat angles P-C4'-P energy: -58.391
tors. eta vs tors. theta energy: -109.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1106.999559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.999559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.999559 (E_RNA)
where:
Base-Base interactions energy: -747.770
where: short stacking energy: -313.264
Base-Backbone interact. energy: -2.629
local terms energy: -356.600598
where:
bonds (distance) C4'-P energy: -71.335
bonds (distance) P-C4' energy: -78.657
flat angles C4'-P-C4' energy: -69.717
flat angles P-C4'-P energy: -55.256
tors. eta vs tors. theta energy: -81.635
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: 3
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1035.227067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.227067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.227067 (E_RNA)
where:
Base-Base interactions energy: -685.110
where: short stacking energy: -286.798
Base-Backbone interact. energy: 1.709
local terms energy: -351.825918
where:
bonds (distance) C4'-P energy: -66.982
bonds (distance) P-C4' energy: -78.189
flat angles C4'-P-C4' energy: -79.939
flat angles P-C4'-P energy: -41.403
tors. eta vs tors. theta energy: -85.312
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: 156
Temperature: 1.100000
Total energy: -997.818413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.818413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.818413 (E_RNA)
where:
Base-Base interactions energy: -668.644
where: short stacking energy: -284.921
Base-Backbone interact. energy: -1.201
local terms energy: -327.973024
where:
bonds (distance) C4'-P energy: -62.632
bonds (distance) P-C4' energy: -72.886
flat angles C4'-P-C4' energy: -70.094
flat angles P-C4'-P energy: -43.399
tors. eta vs tors. theta energy: -78.962
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: 4
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -844.786714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.786714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.786714 (E_RNA)
where:
Base-Base interactions energy: -534.070
where: short stacking energy: -232.116
Base-Backbone interact. energy: 0.440
local terms energy: -311.157367
where:
bonds (distance) C4'-P energy: -61.737
bonds (distance) P-C4' energy: -74.427
flat angles C4'-P-C4' energy: -76.744
flat angles P-C4'-P energy: -37.973
tors. eta vs tors. theta energy: -60.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -796.338653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.338653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.338653 (E_RNA)
where:
Base-Base interactions energy: -516.987
where: short stacking energy: -241.014
Base-Backbone interact. energy: -1.104
local terms energy: -278.247227
where:
bonds (distance) C4'-P energy: -57.494
bonds (distance) P-C4' energy: -56.953
flat angles C4'-P-C4' energy: -61.530
flat angles P-C4'-P energy: -42.670
tors. eta vs tors. theta energy: -59.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -680.456832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.456832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.456832 (E_RNA)
where:
Base-Base interactions energy: -399.087
where: short stacking energy: -180.397
Base-Backbone interact. energy: -0.495
local terms energy: -280.875018
where:
bonds (distance) C4'-P energy: -70.973
bonds (distance) P-C4' energy: -68.801
flat angles C4'-P-C4' energy: -64.033
flat angles P-C4'-P energy: -40.235
tors. eta vs tors. theta energy: -36.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -377.657200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.657200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.657200 (E_RNA)
where:
Base-Base interactions energy: -188.960
where: short stacking energy: -126.077
Base-Backbone interact. energy: 2.230
local terms energy: -190.926886
where:
bonds (distance) C4'-P energy: -47.069
bonds (distance) P-C4' energy: -60.760
flat angles C4'-P-C4' energy: -50.867
flat angles P-C4'-P energy: -24.432
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: 10, replica: 6
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -285.738452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.738452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.738452 (E_RNA)
where:
Base-Base interactions energy: -87.884
where: short stacking energy: -68.971
Base-Backbone interact. energy: -1.007
local terms energy: -196.847459
where:
bonds (distance) C4'-P energy: -61.519
bonds (distance) P-C4' energy: -65.736
flat angles C4'-P-C4' energy: -55.089
flat angles P-C4'-P energy: -27.526
tors. eta vs tors. theta energy: 13.023
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: 9
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1270.699338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.699338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.699338 (E_RNA)
where:
Base-Base interactions energy: -857.593
where: short stacking energy: -377.374
Base-Backbone interact. energy: -0.540
local terms energy: -412.566176
where:
bonds (distance) C4'-P energy: -79.881
bonds (distance) P-C4' energy: -78.281
flat angles C4'-P-C4' energy: -87.392
flat angles P-C4'-P energy: -49.547
tors. eta vs tors. theta energy: -117.464
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: 1
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1196.710866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.710866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.710866 (E_RNA)
where:
Base-Base interactions energy: -821.840
where: short stacking energy: -343.929
Base-Backbone interact. energy: 2.058
local terms energy: -376.929486
where:
bonds (distance) C4'-P energy: -67.343
bonds (distance) P-C4' energy: -62.801
flat angles C4'-P-C4' energy: -91.502
flat angles P-C4'-P energy: -51.163
tors. eta vs tors. theta energy: -104.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -1112.334668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.334668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.334668 (E_RNA)
where:
Base-Base interactions energy: -778.678
where: short stacking energy: -314.985
Base-Backbone interact. energy: 0.402
local terms energy: -334.058408
where:
bonds (distance) C4'-P energy: -66.923
bonds (distance) P-C4' energy: -76.798
flat angles C4'-P-C4' energy: -65.765
flat angles P-C4'-P energy: -47.073
tors. eta vs tors. theta energy: -77.500
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: 3
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -1016.643262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.643262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.643262 (E_RNA)
where:
Base-Base interactions energy: -663.630
where: short stacking energy: -287.900
Base-Backbone interact. energy: -0.832
local terms energy: -352.181247
where:
bonds (distance) C4'-P energy: -69.079
bonds (distance) P-C4' energy: -82.643
flat angles C4'-P-C4' energy: -71.606
flat angles P-C4'-P energy: -40.935
tors. eta vs tors. theta energy: -87.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -985.398453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.398453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.398453 (E_RNA)
where:
Base-Base interactions energy: -663.028
where: short stacking energy: -282.469
Base-Backbone interact. energy: -3.899
local terms energy: -318.471871
where:
bonds (distance) C4'-P energy: -63.234
bonds (distance) P-C4' energy: -65.920
flat angles C4'-P-C4' energy: -63.829
flat angles P-C4'-P energy: -44.692
tors. eta vs tors. theta energy: -80.797
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: 4
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -848.598755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.598755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.598755 (E_RNA)
where:
Base-Base interactions energy: -546.097
where: short stacking energy: -242.346
Base-Backbone interact. energy: 1.052
local terms energy: -303.553326
where:
bonds (distance) C4'-P energy: -65.517
bonds (distance) P-C4' energy: -64.278
flat angles C4'-P-C4' energy: -69.354
flat angles P-C4'-P energy: -52.816
tors. eta vs tors. theta energy: -51.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -830.324855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.324855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.324855 (E_RNA)
where:
Base-Base interactions energy: -534.256
where: short stacking energy: -250.622
Base-Backbone interact. energy: -3.953
local terms energy: -292.115139
where:
bonds (distance) C4'-P energy: -60.013
bonds (distance) P-C4' energy: -65.321
flat angles C4'-P-C4' energy: -57.713
flat angles P-C4'-P energy: -41.011
tors. eta vs tors. theta energy: -68.057
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: 2
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -644.097558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.097558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.097558 (E_RNA)
where:
Base-Base interactions energy: -407.627
where: short stacking energy: -173.079
Base-Backbone interact. energy: 0.722
local terms energy: -237.192127
where:
bonds (distance) C4'-P energy: -59.217
bonds (distance) P-C4' energy: -55.366
flat angles C4'-P-C4' energy: -57.330
flat angles P-C4'-P energy: -36.912
tors. eta vs tors. theta energy: -28.367
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: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -363.188583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.188583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.188583 (E_RNA)
where:
Base-Base interactions energy: -159.015
where: short stacking energy: -97.255
Base-Backbone interact. energy: -0.112
local terms energy: -204.061498
where:
bonds (distance) C4'-P energy: -59.701
bonds (distance) P-C4' energy: -65.939
flat angles C4'-P-C4' energy: -48.338
flat angles P-C4'-P energy: -37.854
tors. eta vs tors. theta energy: 7.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -278.430522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.430522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.430522 (E_RNA)
where:
Base-Base interactions energy: -87.753
where: short stacking energy: -43.090
Base-Backbone interact. energy: -1.734
local terms energy: -188.943064
where:
bonds (distance) C4'-P energy: -59.519
bonds (distance) P-C4' energy: -70.132
flat angles C4'-P-C4' energy: -54.366
flat angles P-C4'-P energy: -29.141
tors. eta vs tors. theta energy: 24.216
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: 1, replica: 9
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1275.030786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.030786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.030786 (E_RNA)
where:
Base-Base interactions energy: -846.559
where: short stacking energy: -360.669
Base-Backbone interact. energy: -0.956
local terms energy: -427.515703
where:
bonds (distance) C4'-P energy: -74.248
bonds (distance) P-C4' energy: -79.697
flat angles C4'-P-C4' energy: -93.341
flat angles P-C4'-P energy: -63.448
tors. eta vs tors. theta energy: -116.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1211.199629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.199629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.199629 (E_RNA)
where:
Base-Base interactions energy: -825.210
where: short stacking energy: -367.076
Base-Backbone interact. energy: 0.599
local terms energy: -386.588748
where:
bonds (distance) C4'-P energy: -62.095
bonds (distance) P-C4' energy: -80.930
flat angles C4'-P-C4' energy: -75.859
flat angles P-C4'-P energy: -54.921
tors. eta vs tors. theta energy: -112.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1127.772644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.772644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.772644 (E_RNA)
where:
Base-Base interactions energy: -766.057
where: short stacking energy: -315.654
Base-Backbone interact. energy: -2.241
local terms energy: -359.473946
where:
bonds (distance) C4'-P energy: -69.855
bonds (distance) P-C4' energy: -72.191
flat angles C4'-P-C4' energy: -78.694
flat angles P-C4'-P energy: -46.065
tors. eta vs tors. theta energy: -92.669
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: 3
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1029.294223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.294223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.294223 (E_RNA)
where:
Base-Base interactions energy: -692.432
where: short stacking energy: -292.576
Base-Backbone interact. energy: -0.563
local terms energy: -336.299540
where:
bonds (distance) C4'-P energy: -64.226
bonds (distance) P-C4' energy: -74.048
flat angles C4'-P-C4' energy: -67.737
flat angles P-C4'-P energy: -54.123
tors. eta vs tors. theta energy: -76.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -984.447902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.447902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.447902 (E_RNA)
where:
Base-Base interactions energy: -637.526
where: short stacking energy: -260.764
Base-Backbone interact. energy: -1.881
local terms energy: -345.040599
where:
bonds (distance) C4'-P energy: -62.727
bonds (distance) P-C4' energy: -79.905
flat angles C4'-P-C4' energy: -78.996
flat angles P-C4'-P energy: -52.512
tors. eta vs tors. theta energy: -70.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -870.155583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.155583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.155583 (E_RNA)
where:
Base-Base interactions energy: -580.647
where: short stacking energy: -258.798
Base-Backbone interact. energy: -0.093
local terms energy: -289.416302
where:
bonds (distance) C4'-P energy: -65.063
bonds (distance) P-C4' energy: -71.102
flat angles C4'-P-C4' energy: -64.579
flat angles P-C4'-P energy: -41.025
tors. eta vs tors. theta energy: -47.648
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: 10
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -813.817801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.817801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.817801 (E_RNA)
where:
Base-Base interactions energy: -520.080
where: short stacking energy: -239.628
Base-Backbone interact. energy: -0.268
local terms energy: -293.469820
where:
bonds (distance) C4'-P energy: -73.575
bonds (distance) P-C4' energy: -58.368
flat angles C4'-P-C4' energy: -57.974
flat angles P-C4'-P energy: -46.953
tors. eta vs tors. theta energy: -56.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -668.570556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.570556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.570556 (E_RNA)
where:
Base-Base interactions energy: -413.517
where: short stacking energy: -170.913
Base-Backbone interact. energy: 2.172
local terms energy: -257.225767
where:
bonds (distance) C4'-P energy: -50.109
bonds (distance) P-C4' energy: -59.640
flat angles C4'-P-C4' energy: -76.094
flat angles P-C4'-P energy: -41.534
tors. eta vs tors. theta energy: -29.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -396.038408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.038408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.038408 (E_RNA)
where:
Base-Base interactions energy: -180.921
where: short stacking energy: -72.402
Base-Backbone interact. energy: 6.818
local terms energy: -221.934932
where:
bonds (distance) C4'-P energy: -60.654
bonds (distance) P-C4' energy: -65.208
flat angles C4'-P-C4' energy: -68.697
flat angles P-C4'-P energy: -29.141
tors. eta vs tors. theta energy: 1.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -296.517846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.517846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.517846 (E_RNA)
where:
Base-Base interactions energy: -104.344
where: short stacking energy: -82.085
Base-Backbone interact. energy: 1.886
local terms energy: -194.059700
where:
bonds (distance) C4'-P energy: -61.974
bonds (distance) P-C4' energy: -66.434
flat angles C4'-P-C4' energy: -62.476
flat angles P-C4'-P energy: -19.819
tors. eta vs tors. theta energy: 16.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1270.782324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.782324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.782324 (E_RNA)
where:
Base-Base interactions energy: -869.557
where: short stacking energy: -365.636
Base-Backbone interact. energy: -0.822
local terms energy: -400.403302
where:
bonds (distance) C4'-P energy: -65.048
bonds (distance) P-C4' energy: -84.492
flat angles C4'-P-C4' energy: -75.180
flat angles P-C4'-P energy: -56.073
tors. eta vs tors. theta energy: -119.610
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: 1
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1220.685147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.685147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.685147 (E_RNA)
where:
Base-Base interactions energy: -822.943
where: short stacking energy: -347.871
Base-Backbone interact. energy: -1.087
local terms energy: -396.655402
where:
bonds (distance) C4'-P energy: -76.317
bonds (distance) P-C4' energy: -67.341
flat angles C4'-P-C4' energy: -89.472
flat angles P-C4'-P energy: -57.881
tors. eta vs tors. theta energy: -105.645
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: 7
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -1146.843962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.843962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.843962 (E_RNA)
where:
Base-Base interactions energy: -774.916
where: short stacking energy: -314.308
Base-Backbone interact. energy: -1.421
local terms energy: -370.506980
where:
bonds (distance) C4'-P energy: -66.433
bonds (distance) P-C4' energy: -79.080
flat angles C4'-P-C4' energy: -78.243
flat angles P-C4'-P energy: -58.013
tors. eta vs tors. theta energy: -88.738
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: 3
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1060.823866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.823866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.823866 (E_RNA)
where:
Base-Base interactions energy: -704.120
where: short stacking energy: -315.368
Base-Backbone interact. energy: -1.770
local terms energy: -354.933638
where:
bonds (distance) C4'-P energy: -60.845
bonds (distance) P-C4' energy: -75.496
flat angles C4'-P-C4' energy: -86.311
flat angles P-C4'-P energy: -43.314
tors. eta vs tors. theta energy: -88.967
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: 5
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -944.718777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.718777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.718777 (E_RNA)
where:
Base-Base interactions energy: -620.308
where: short stacking energy: -264.011
Base-Backbone interact. energy: -0.902
local terms energy: -323.508824
where:
bonds (distance) C4'-P energy: -65.928
bonds (distance) P-C4' energy: -68.378
flat angles C4'-P-C4' energy: -73.038
flat angles P-C4'-P energy: -44.852
tors. eta vs tors. theta energy: -71.312
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: 6, replica: 4
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -870.830682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.830682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.830682 (E_RNA)
where:
Base-Base interactions energy: -577.826
where: short stacking energy: -242.745
Base-Backbone interact. energy: -0.030
local terms energy: -292.974360
where:
bonds (distance) C4'-P energy: -71.255
bonds (distance) P-C4' energy: -69.569
flat angles C4'-P-C4' energy: -61.565
flat angles P-C4'-P energy: -49.800
tors. eta vs tors. theta energy: -40.785
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: 10
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -858.553433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.553433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.553433 (E_RNA)
where:
Base-Base interactions energy: -539.634
where: short stacking energy: -243.093
Base-Backbone interact. energy: -0.978
local terms energy: -317.941002
where:
bonds (distance) C4'-P energy: -61.485
bonds (distance) P-C4' energy: -67.715
flat angles C4'-P-C4' energy: -76.700
flat angles P-C4'-P energy: -39.764
tors. eta vs tors. theta energy: -72.277
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: 2
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -719.103905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.103905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.103905 (E_RNA)
where:
Base-Base interactions energy: -450.683
where: short stacking energy: -197.327
Base-Backbone interact. energy: -1.353
local terms energy: -267.067939
where:
bonds (distance) C4'-P energy: -67.412
bonds (distance) P-C4' energy: -66.696
flat angles C4'-P-C4' energy: -63.501
flat angles P-C4'-P energy: -30.568
tors. eta vs tors. theta energy: -38.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -393.126114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.126114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.126114 (E_RNA)
where:
Base-Base interactions energy: -179.096
where: short stacking energy: -109.384
Base-Backbone interact. energy: -2.010
local terms energy: -212.019522
where:
bonds (distance) C4'-P energy: -59.911
bonds (distance) P-C4' energy: -65.919
flat angles C4'-P-C4' energy: -50.993
flat angles P-C4'-P energy: -36.405
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: 10, replica: 6
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -307.515081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.515081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.515081 (E_RNA)
where:
Base-Base interactions energy: -101.872
where: short stacking energy: -88.202
Base-Backbone interact. energy: 0.292
local terms energy: -205.934787
where:
bonds (distance) C4'-P energy: -65.642
bonds (distance) P-C4' energy: -61.082
flat angles C4'-P-C4' energy: -63.094
flat angles P-C4'-P energy: -19.651
tors. eta vs tors. theta energy: 3.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1266.040809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.040809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.040809 (E_RNA)
where:
Base-Base interactions energy: -856.222
where: short stacking energy: -353.642
Base-Backbone interact. energy: -1.398
local terms energy: -408.420562
where:
bonds (distance) C4'-P energy: -76.958
bonds (distance) P-C4' energy: -80.418
flat angles C4'-P-C4' energy: -81.922
flat angles P-C4'-P energy: -52.247
tors. eta vs tors. theta energy: -116.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1217.538933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.538933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.538933 (E_RNA)
where:
Base-Base interactions energy: -834.264
where: short stacking energy: -356.403
Base-Backbone interact. energy: 2.648
local terms energy: -385.922623
where:
bonds (distance) C4'-P energy: -79.215
bonds (distance) P-C4' energy: -73.649
flat angles C4'-P-C4' energy: -82.212
flat angles P-C4'-P energy: -43.125
tors. eta vs tors. theta energy: -107.722
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: 7
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1127.774149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.774149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.774149 (E_RNA)
where:
Base-Base interactions energy: -784.458
where: short stacking energy: -316.682
Base-Backbone interact. energy: -2.928
local terms energy: -340.388681
where:
bonds (distance) C4'-P energy: -54.014
bonds (distance) P-C4' energy: -74.154
flat angles C4'-P-C4' energy: -79.670
flat angles P-C4'-P energy: -52.557
tors. eta vs tors. theta energy: -79.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1074.977383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.977383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.977383 (E_RNA)
where:
Base-Base interactions energy: -727.358
where: short stacking energy: -311.725
Base-Backbone interact. energy: 3.473
local terms energy: -351.092347
where:
bonds (distance) C4'-P energy: -60.993
bonds (distance) P-C4' energy: -64.422
flat angles C4'-P-C4' energy: -76.268
flat angles P-C4'-P energy: -61.765
tors. eta vs tors. theta energy: -87.644
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: 5
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1004.322854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.322854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.322854 (E_RNA)
where:
Base-Base interactions energy: -657.557
where: short stacking energy: -271.723
Base-Backbone interact. energy: 0.714
local terms energy: -347.479976
where:
bonds (distance) C4'-P energy: -70.322
bonds (distance) P-C4' energy: -69.421
flat angles C4'-P-C4' energy: -78.873
flat angles P-C4'-P energy: -47.772
tors. eta vs tors. theta energy: -81.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -843.222091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.222091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.222091 (E_RNA)
where:
Base-Base interactions energy: -558.392
where: short stacking energy: -239.502
Base-Backbone interact. energy: 1.301
local terms energy: -286.131202
where:
bonds (distance) C4'-P energy: -50.411
bonds (distance) P-C4' energy: -73.064
flat angles C4'-P-C4' energy: -66.644
flat angles P-C4'-P energy: -39.057
tors. eta vs tors. theta energy: -56.954
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: 160
Temperature: 1.200000
Total energy: -824.249429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.249429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.249429 (E_RNA)
where:
Base-Base interactions energy: -529.306
where: short stacking energy: -252.100
Base-Backbone interact. energy: -0.466
local terms energy: -294.477597
where:
bonds (distance) C4'-P energy: -61.780
bonds (distance) P-C4' energy: -53.281
flat angles C4'-P-C4' energy: -66.867
flat angles P-C4'-P energy: -39.903
tors. eta vs tors. theta energy: -72.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -688.253728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.253728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.253728 (E_RNA)
where:
Base-Base interactions energy: -443.062
where: short stacking energy: -174.356
Base-Backbone interact. energy: 2.118
local terms energy: -247.309114
where:
bonds (distance) C4'-P energy: -50.735
bonds (distance) P-C4' energy: -68.951
flat angles C4'-P-C4' energy: -61.474
flat angles P-C4'-P energy: -38.455
tors. eta vs tors. theta energy: -27.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -411.582397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.582397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.582397 (E_RNA)
where:
Base-Base interactions energy: -188.899
where: short stacking energy: -122.807
Base-Backbone interact. energy: -0.545
local terms energy: -222.137831
where:
bonds (distance) C4'-P energy: -59.097
bonds (distance) P-C4' energy: -62.422
flat angles C4'-P-C4' energy: -54.510
flat angles P-C4'-P energy: -35.380
tors. eta vs tors. theta energy: -10.728
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: 160
Temperature: 1.350000
Total energy: -284.682185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.682185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.682185 (E_RNA)
where:
Base-Base interactions energy: -102.253
where: short stacking energy: -89.696
Base-Backbone interact. energy: 3.806
local terms energy: -186.235735
where:
bonds (distance) C4'-P energy: -60.351
bonds (distance) P-C4' energy: -66.893
flat angles C4'-P-C4' energy: -45.587
flat angles P-C4'-P energy: -29.460
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: 1, replica: 9
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1279.074620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.074620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.074620 (E_RNA)
where:
Base-Base interactions energy: -873.073
where: short stacking energy: -380.389
Base-Backbone interact. energy: -0.868
local terms energy: -405.133619
where:
bonds (distance) C4'-P energy: -72.881
bonds (distance) P-C4' energy: -76.386
flat angles C4'-P-C4' energy: -77.996
flat angles P-C4'-P energy: -57.302
tors. eta vs tors. theta energy: -120.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1214.882805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.882805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.882805 (E_RNA)
where:
Base-Base interactions energy: -815.268
where: short stacking energy: -345.443
Base-Backbone interact. energy: -0.882
local terms energy: -398.732830
where:
bonds (distance) C4'-P energy: -64.054
bonds (distance) P-C4' energy: -82.392
flat angles C4'-P-C4' energy: -86.874
flat angles P-C4'-P energy: -52.241
tors. eta vs tors. theta energy: -113.171
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: 3, replica: 7
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1105.010264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.010264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.010264 (E_RNA)
where:
Base-Base interactions energy: -751.876
where: short stacking energy: -302.849
Base-Backbone interact. energy: 0.924
local terms energy: -354.057601
where:
bonds (distance) C4'-P energy: -77.043
bonds (distance) P-C4' energy: -69.981
flat angles C4'-P-C4' energy: -76.763
flat angles P-C4'-P energy: -50.150
tors. eta vs tors. theta energy: -80.120
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: 3
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1040.437348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.437348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.437348 (E_RNA)
where:
Base-Base interactions energy: -694.543
where: short stacking energy: -293.160
Base-Backbone interact. energy: 0.050
local terms energy: -345.944018
where:
bonds (distance) C4'-P energy: -64.376
bonds (distance) P-C4' energy: -58.652
flat angles C4'-P-C4' energy: -80.000
flat angles P-C4'-P energy: -53.245
tors. eta vs tors. theta energy: -89.672
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: 5, replica: 5
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -992.996816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.996816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.996816 (E_RNA)
where:
Base-Base interactions energy: -653.819
where: short stacking energy: -281.869
Base-Backbone interact. energy: 0.313
local terms energy: -339.491303
where:
bonds (distance) C4'-P energy: -62.665
bonds (distance) P-C4' energy: -64.254
flat angles C4'-P-C4' energy: -87.018
flat angles P-C4'-P energy: -46.506
tors. eta vs tors. theta energy: -79.049
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: 10
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -861.027341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.027341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.027341 (E_RNA)
where:
Base-Base interactions energy: -527.139
where: short stacking energy: -245.458
Base-Backbone interact. energy: -1.232
local terms energy: -332.656767
where:
bonds (distance) C4'-P energy: -71.146
bonds (distance) P-C4' energy: -64.530
flat angles C4'-P-C4' energy: -76.947
flat angles P-C4'-P energy: -49.371
tors. eta vs tors. theta energy: -70.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -848.676181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.676181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.676181 (E_RNA)
where:
Base-Base interactions energy: -548.814
where: short stacking energy: -221.299
Base-Backbone interact. energy: -0.681
local terms energy: -299.181579
where:
bonds (distance) C4'-P energy: -64.975
bonds (distance) P-C4' energy: -63.113
flat angles C4'-P-C4' energy: -65.081
flat angles P-C4'-P energy: -47.912
tors. eta vs tors. theta energy: -58.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -665.689980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.689980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.689980 (E_RNA)
where:
Base-Base interactions energy: -430.331
where: short stacking energy: -158.074
Base-Backbone interact. energy: 0.239
local terms energy: -235.598147
where:
bonds (distance) C4'-P energy: -60.889
bonds (distance) P-C4' energy: -58.843
flat angles C4'-P-C4' energy: -58.585
flat angles P-C4'-P energy: -27.878
tors. eta vs tors. theta energy: -29.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -396.462655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.462655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.462655 (E_RNA)
where:
Base-Base interactions energy: -177.301
where: short stacking energy: -102.146
Base-Backbone interact. energy: -0.240
local terms energy: -218.921866
where:
bonds (distance) C4'-P energy: -56.182
bonds (distance) P-C4' energy: -68.555
flat angles C4'-P-C4' energy: -49.529
flat angles P-C4'-P energy: -32.878
tors. eta vs tors. theta energy: -11.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -290.788861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.788861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.788861 (E_RNA)
where:
Base-Base interactions energy: -92.525
where: short stacking energy: -84.023
Base-Backbone interact. energy: 9.781
local terms energy: -208.044913
where:
bonds (distance) C4'-P energy: -67.860
bonds (distance) P-C4' energy: -69.967
flat angles C4'-P-C4' energy: -54.495
flat angles P-C4'-P energy: -34.874
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: 1, replica: 9
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1291.606139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.606139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.606139 (E_RNA)
where:
Base-Base interactions energy: -889.232
where: short stacking energy: -380.032
Base-Backbone interact. energy: -0.774
local terms energy: -401.600361
where:
bonds (distance) C4'-P energy: -73.378
bonds (distance) P-C4' energy: -77.635
flat angles C4'-P-C4' energy: -80.579
flat angles P-C4'-P energy: -55.978
tors. eta vs tors. theta energy: -114.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1217.501577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.501577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.501577 (E_RNA)
where:
Base-Base interactions energy: -827.833
where: short stacking energy: -349.203
Base-Backbone interact. energy: -2.214
local terms energy: -387.454917
where:
bonds (distance) C4'-P energy: -74.200
bonds (distance) P-C4' energy: -79.482
flat angles C4'-P-C4' energy: -82.172
flat angles P-C4'-P energy: -52.532
tors. eta vs tors. theta energy: -99.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1149.909449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.909449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.909449 (E_RNA)
where:
Base-Base interactions energy: -809.165
where: short stacking energy: -333.675
Base-Backbone interact. energy: -1.886
local terms energy: -338.857623
where:
bonds (distance) C4'-P energy: -65.268
bonds (distance) P-C4' energy: -57.055
flat angles C4'-P-C4' energy: -75.656
flat angles P-C4'-P energy: -48.078
tors. eta vs tors. theta energy: -92.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -1090.272690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.272690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.272690 (E_RNA)
where:
Base-Base interactions energy: -722.481
where: short stacking energy: -315.469
Base-Backbone interact. energy: -0.958
local terms energy: -366.833875
where:
bonds (distance) C4'-P energy: -76.969
bonds (distance) P-C4' energy: -75.240
flat angles C4'-P-C4' energy: -73.369
flat angles P-C4'-P energy: -47.092
tors. eta vs tors. theta energy: -94.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -993.548162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.548162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.548162 (E_RNA)
where:
Base-Base interactions energy: -670.150
where: short stacking energy: -280.958
Base-Backbone interact. energy: -3.125
local terms energy: -320.273387
where:
bonds (distance) C4'-P energy: -60.501
bonds (distance) P-C4' energy: -66.883
flat angles C4'-P-C4' energy: -63.240
flat angles P-C4'-P energy: -48.869
tors. eta vs tors. theta energy: -80.781
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: 10
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -837.022948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.022948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.022948 (E_RNA)
where:
Base-Base interactions energy: -544.260
where: short stacking energy: -237.749
Base-Backbone interact. energy: -1.344
local terms energy: -291.418525
where:
bonds (distance) C4'-P energy: -53.687
bonds (distance) P-C4' energy: -62.063
flat angles C4'-P-C4' energy: -68.339
flat angles P-C4'-P energy: -52.454
tors. eta vs tors. theta energy: -54.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -874.431646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.431646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.431646 (E_RNA)
where:
Base-Base interactions energy: -570.250
where: short stacking energy: -244.673
Base-Backbone interact. energy: -3.177
local terms energy: -301.004670
where:
bonds (distance) C4'-P energy: -60.779
bonds (distance) P-C4' energy: -57.795
flat angles C4'-P-C4' energy: -75.874
flat angles P-C4'-P energy: -48.743
tors. eta vs tors. theta energy: -57.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -634.388872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.388872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.388872 (E_RNA)
where:
Base-Base interactions energy: -383.131
where: short stacking energy: -175.745
Base-Backbone interact. energy: -1.235
local terms energy: -250.022892
where:
bonds (distance) C4'-P energy: -57.954
bonds (distance) P-C4' energy: -71.282
flat angles C4'-P-C4' energy: -54.792
flat angles P-C4'-P energy: -47.101
tors. eta vs tors. theta energy: -18.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -376.695334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.695334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.695334 (E_RNA)
where:
Base-Base interactions energy: -145.284
where: short stacking energy: -87.288
Base-Backbone interact. energy: -1.009
local terms energy: -230.401662
where:
bonds (distance) C4'-P energy: -66.048
bonds (distance) P-C4' energy: -58.391
flat angles C4'-P-C4' energy: -58.339
flat angles P-C4'-P energy: -43.398
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: 10, replica: 6
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -313.038909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.038909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.038909 (E_RNA)
where:
Base-Base interactions energy: -129.013
where: short stacking energy: -88.447
Base-Backbone interact. energy: 1.491
local terms energy: -185.516273
where:
bonds (distance) C4'-P energy: -64.123
bonds (distance) P-C4' energy: -72.254
flat angles C4'-P-C4' energy: -42.001
flat angles P-C4'-P energy: -20.026
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: 1, replica: 9
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1266.051815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.051815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.051815 (E_RNA)
where:
Base-Base interactions energy: -855.548
where: short stacking energy: -362.886
Base-Backbone interact. energy: -1.264
local terms energy: -409.239420
where:
bonds (distance) C4'-P energy: -78.661
bonds (distance) P-C4' energy: -83.189
flat angles C4'-P-C4' energy: -75.634
flat angles P-C4'-P energy: -61.365
tors. eta vs tors. theta energy: -110.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1229.912241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.912241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.912241 (E_RNA)
where:
Base-Base interactions energy: -838.239
where: short stacking energy: -353.081
Base-Backbone interact. energy: -2.808
local terms energy: -388.865838
where:
bonds (distance) C4'-P energy: -67.976
bonds (distance) P-C4' energy: -75.895
flat angles C4'-P-C4' energy: -74.604
flat angles P-C4'-P energy: -58.276
tors. eta vs tors. theta energy: -112.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -1180.121908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.121908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.121908 (E_RNA)
where:
Base-Base interactions energy: -823.200
where: short stacking energy: -335.130
Base-Backbone interact. energy: -2.051
local terms energy: -354.870661
where:
bonds (distance) C4'-P energy: -77.744
bonds (distance) P-C4' energy: -63.917
flat angles C4'-P-C4' energy: -69.411
flat angles P-C4'-P energy: -52.122
tors. eta vs tors. theta energy: -91.677
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: 4, replica: 3
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1071.906099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.906099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.906099 (E_RNA)
where:
Base-Base interactions energy: -713.382
where: short stacking energy: -306.434
Base-Backbone interact. energy: 0.080
local terms energy: -358.604067
where:
bonds (distance) C4'-P energy: -63.958
bonds (distance) P-C4' energy: -74.654
flat angles C4'-P-C4' energy: -74.676
flat angles P-C4'-P energy: -55.008
tors. eta vs tors. theta energy: -90.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1022.833787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.833787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.833787 (E_RNA)
where:
Base-Base interactions energy: -665.903
where: short stacking energy: -289.667
Base-Backbone interact. energy: 4.170
local terms energy: -361.101244
where:
bonds (distance) C4'-P energy: -69.947
bonds (distance) P-C4' energy: -66.860
flat angles C4'-P-C4' energy: -84.363
flat angles P-C4'-P energy: -57.380
tors. eta vs tors. theta energy: -82.551
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: 4
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -821.975343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.975343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.975343 (E_RNA)
where:
Base-Base interactions energy: -538.574
where: short stacking energy: -230.074
Base-Backbone interact. energy: 3.376
local terms energy: -286.777285
where:
bonds (distance) C4'-P energy: -73.557
bonds (distance) P-C4' energy: -58.972
flat angles C4'-P-C4' energy: -62.126
flat angles P-C4'-P energy: -50.021
tors. eta vs tors. theta energy: -42.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -825.764480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.764480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.764480 (E_RNA)
where:
Base-Base interactions energy: -530.955
where: short stacking energy: -248.781
Base-Backbone interact. energy: -0.805
local terms energy: -294.004668
where:
bonds (distance) C4'-P energy: -48.780
bonds (distance) P-C4' energy: -60.012
flat angles C4'-P-C4' energy: -71.708
flat angles P-C4'-P energy: -51.518
tors. eta vs tors. theta energy: -61.986
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: 2
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -588.230132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.230132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.230132 (E_RNA)
where:
Base-Base interactions energy: -361.141
where: short stacking energy: -157.309
Base-Backbone interact. energy: 0.323
local terms energy: -227.412335
where:
bonds (distance) C4'-P energy: -56.249
bonds (distance) P-C4' energy: -66.936
flat angles C4'-P-C4' energy: -68.099
flat angles P-C4'-P energy: -25.234
tors. eta vs tors. theta energy: -10.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -410.164388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.164388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.164388 (E_RNA)
where:
Base-Base interactions energy: -198.559
where: short stacking energy: -134.876
Base-Backbone interact. energy: -0.469
local terms energy: -211.136396
where:
bonds (distance) C4'-P energy: -51.390
bonds (distance) P-C4' energy: -61.342
flat angles C4'-P-C4' energy: -58.483
flat angles P-C4'-P energy: -36.071
tors. eta vs tors. theta energy: -3.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -306.153785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.153785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.153785 (E_RNA)
where:
Base-Base interactions energy: -112.420
where: short stacking energy: -64.034
Base-Backbone interact. energy: -0.725
local terms energy: -193.008676
where:
bonds (distance) C4'-P energy: -52.906
bonds (distance) P-C4' energy: -62.916
flat angles C4'-P-C4' energy: -63.200
flat angles P-C4'-P energy: -27.270
tors. eta vs tors. theta energy: 13.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1277.277912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.277912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.277912 (E_RNA)
where:
Base-Base interactions energy: -877.066
where: short stacking energy: -372.242
Base-Backbone interact. energy: 1.624
local terms energy: -401.835470
where:
bonds (distance) C4'-P energy: -63.119
bonds (distance) P-C4' energy: -85.522
flat angles C4'-P-C4' energy: -83.324
flat angles P-C4'-P energy: -54.657
tors. eta vs tors. theta energy: -115.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1218.703884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.703884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.703884 (E_RNA)
where:
Base-Base interactions energy: -838.378
where: short stacking energy: -368.495
Base-Backbone interact. energy: -0.719
local terms energy: -379.607422
where:
bonds (distance) C4'-P energy: -73.711
bonds (distance) P-C4' energy: -71.980
flat angles C4'-P-C4' energy: -79.336
flat angles P-C4'-P energy: -47.536
tors. eta vs tors. theta energy: -107.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -1167.195492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.195492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.195492 (E_RNA)
where:
Base-Base interactions energy: -810.449
where: short stacking energy: -338.182
Base-Backbone interact. energy: -0.771
local terms energy: -355.975187
where:
bonds (distance) C4'-P energy: -69.343
bonds (distance) P-C4' energy: -67.016
flat angles C4'-P-C4' energy: -76.868
flat angles P-C4'-P energy: -54.121
tors. eta vs tors. theta energy: -88.628
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: 3
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1074.304315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.304315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.304315 (E_RNA)
where:
Base-Base interactions energy: -718.178
where: short stacking energy: -301.935
Base-Backbone interact. energy: -1.889
local terms energy: -354.237213
where:
bonds (distance) C4'-P energy: -73.884
bonds (distance) P-C4' energy: -68.571
flat angles C4'-P-C4' energy: -82.070
flat angles P-C4'-P energy: -46.624
tors. eta vs tors. theta energy: -83.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -975.877944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.877944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.877944 (E_RNA)
where:
Base-Base interactions energy: -654.800
where: short stacking energy: -273.899
Base-Backbone interact. energy: -3.288
local terms energy: -317.790023
where:
bonds (distance) C4'-P energy: -58.489
bonds (distance) P-C4' energy: -69.062
flat angles C4'-P-C4' energy: -77.238
flat angles P-C4'-P energy: -38.230
tors. eta vs tors. theta energy: -74.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -853.382020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.382020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.382020 (E_RNA)
where:
Base-Base interactions energy: -542.843
where: short stacking energy: -234.795
Base-Backbone interact. energy: -2.414
local terms energy: -308.124125
where:
bonds (distance) C4'-P energy: -71.707
bonds (distance) P-C4' energy: -62.666
flat angles C4'-P-C4' energy: -72.850
flat angles P-C4'-P energy: -48.201
tors. eta vs tors. theta energy: -52.700
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: 10
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -796.871543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.871543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.871543 (E_RNA)
where:
Base-Base interactions energy: -489.371
where: short stacking energy: -223.735
Base-Backbone interact. energy: -0.603
local terms energy: -306.897544
where:
bonds (distance) C4'-P energy: -60.296
bonds (distance) P-C4' energy: -72.021
flat angles C4'-P-C4' energy: -56.993
flat angles P-C4'-P energy: -47.923
tors. eta vs tors. theta energy: -69.665
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: 2
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -526.801296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.801296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.801296 (E_RNA)
where:
Base-Base interactions energy: -279.542
where: short stacking energy: -122.148
Base-Backbone interact. energy: 3.359
local terms energy: -250.618329
where:
bonds (distance) C4'-P energy: -63.460
bonds (distance) P-C4' energy: -75.950
flat angles C4'-P-C4' energy: -63.595
flat angles P-C4'-P energy: -34.443
tors. eta vs tors. theta energy: -13.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -408.511144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.511144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.511144 (E_RNA)
where:
Base-Base interactions energy: -179.011
where: short stacking energy: -116.740
Base-Backbone interact. energy: -0.805
local terms energy: -228.695055
where:
bonds (distance) C4'-P energy: -62.970
bonds (distance) P-C4' energy: -59.215
flat angles C4'-P-C4' energy: -61.978
flat angles P-C4'-P energy: -45.219
tors. eta vs tors. theta energy: 0.686
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: 164
Temperature: 1.350000
Total energy: -305.732545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.732545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.732545 (E_RNA)
where:
Base-Base interactions energy: -111.271
where: short stacking energy: -72.262
Base-Backbone interact. energy: -1.171
local terms energy: -193.290208
where:
bonds (distance) C4'-P energy: -56.108
bonds (distance) P-C4' energy: -68.103
flat angles C4'-P-C4' energy: -42.026
flat angles P-C4'-P energy: -35.366
tors. eta vs tors. theta energy: 8.313
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: 165
Temperature: 0.900000
Total energy: -1277.000217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.000217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.000217 (E_RNA)
where:
Base-Base interactions energy: -866.391
where: short stacking energy: -370.184
Base-Backbone interact. energy: -2.403
local terms energy: -408.206478
where:
bonds (distance) C4'-P energy: -75.347
bonds (distance) P-C4' energy: -74.192
flat angles C4'-P-C4' energy: -81.778
flat angles P-C4'-P energy: -62.713
tors. eta vs tors. theta energy: -114.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1225.272919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.272919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.272919 (E_RNA)
where:
Base-Base interactions energy: -834.938
where: short stacking energy: -353.008
Base-Backbone interact. energy: 0.371
local terms energy: -390.705312
where:
bonds (distance) C4'-P energy: -70.916
bonds (distance) P-C4' energy: -80.376
flat angles C4'-P-C4' energy: -80.601
flat angles P-C4'-P energy: -52.887
tors. eta vs tors. theta energy: -105.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1125.316218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.316218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.316218 (E_RNA)
where:
Base-Base interactions energy: -795.832
where: short stacking energy: -307.274
Base-Backbone interact. energy: 1.879
local terms energy: -331.363598
where:
bonds (distance) C4'-P energy: -56.862
bonds (distance) P-C4' energy: -76.599
flat angles C4'-P-C4' energy: -68.850
flat angles P-C4'-P energy: -52.062
tors. eta vs tors. theta energy: -76.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1086.556574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.556574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.556574 (E_RNA)
where:
Base-Base interactions energy: -716.101
where: short stacking energy: -306.328
Base-Backbone interact. energy: -1.251
local terms energy: -369.204991
where:
bonds (distance) C4'-P energy: -71.556
bonds (distance) P-C4' energy: -70.336
flat angles C4'-P-C4' energy: -75.374
flat angles P-C4'-P energy: -56.619
tors. eta vs tors. theta energy: -95.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -991.165560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.165560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.165560 (E_RNA)
where:
Base-Base interactions energy: -671.357
where: short stacking energy: -282.870
Base-Backbone interact. energy: -0.230
local terms energy: -319.578929
where:
bonds (distance) C4'-P energy: -66.279
bonds (distance) P-C4' energy: -66.864
flat angles C4'-P-C4' energy: -69.324
flat angles P-C4'-P energy: -42.329
tors. eta vs tors. theta energy: -74.783
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: 4
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -888.256316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.256316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.256316 (E_RNA)
where:
Base-Base interactions energy: -589.442
where: short stacking energy: -249.841
Base-Backbone interact. energy: -0.050
local terms energy: -298.764195
where:
bonds (distance) C4'-P energy: -53.509
bonds (distance) P-C4' energy: -62.640
flat angles C4'-P-C4' energy: -74.254
flat angles P-C4'-P energy: -41.215
tors. eta vs tors. theta energy: -67.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -815.544173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.544173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.544173 (E_RNA)
where:
Base-Base interactions energy: -507.503
where: short stacking energy: -226.874
Base-Backbone interact. energy: -1.728
local terms energy: -306.313331
where:
bonds (distance) C4'-P energy: -65.446
bonds (distance) P-C4' energy: -64.974
flat angles C4'-P-C4' energy: -72.283
flat angles P-C4'-P energy: -41.033
tors. eta vs tors. theta energy: -62.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -519.985425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.985425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.985425 (E_RNA)
where:
Base-Base interactions energy: -264.071
where: short stacking energy: -124.032
Base-Backbone interact. energy: -2.973
local terms energy: -252.940907
where:
bonds (distance) C4'-P energy: -69.471
bonds (distance) P-C4' energy: -64.423
flat angles C4'-P-C4' energy: -66.317
flat angles P-C4'-P energy: -37.568
tors. eta vs tors. theta energy: -15.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -401.294803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.294803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.294803 (E_RNA)
where:
Base-Base interactions energy: -186.064
where: short stacking energy: -122.055
Base-Backbone interact. energy: -0.081
local terms energy: -215.149761
where:
bonds (distance) C4'-P energy: -51.980
bonds (distance) P-C4' energy: -66.504
flat angles C4'-P-C4' energy: -53.697
flat angles P-C4'-P energy: -28.432
tors. eta vs tors. theta energy: -14.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -289.754002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.754002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.754002 (E_RNA)
where:
Base-Base interactions energy: -113.830
where: short stacking energy: -102.419
Base-Backbone interact. energy: 0.575
local terms energy: -176.498389
where:
bonds (distance) C4'-P energy: -60.195
bonds (distance) P-C4' energy: -60.188
flat angles C4'-P-C4' energy: -37.945
flat angles P-C4'-P energy: -28.769
tors. eta vs tors. theta energy: 10.600
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: 9
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1247.261561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.261561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.261561 (E_RNA)
where:
Base-Base interactions energy: -851.657
where: short stacking energy: -351.585
Base-Backbone interact. energy: -0.740
local terms energy: -394.864787
where:
bonds (distance) C4'-P energy: -69.255
bonds (distance) P-C4' energy: -77.230
flat angles C4'-P-C4' energy: -79.086
flat angles P-C4'-P energy: -60.729
tors. eta vs tors. theta energy: -108.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1210.317207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.317207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.317207 (E_RNA)
where:
Base-Base interactions energy: -816.062
where: short stacking energy: -327.359
Base-Backbone interact. energy: -0.841
local terms energy: -393.414632
where:
bonds (distance) C4'-P energy: -73.530
bonds (distance) P-C4' energy: -71.582
flat angles C4'-P-C4' energy: -80.992
flat angles P-C4'-P energy: -59.310
tors. eta vs tors. theta energy: -108.000
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: 166
Temperature: 1.000000
Total energy: -1120.476975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.476975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.476975 (E_RNA)
where:
Base-Base interactions energy: -745.369
where: short stacking energy: -320.276
Base-Backbone interact. energy: -1.627
local terms energy: -373.480975
where:
bonds (distance) C4'-P energy: -74.240
bonds (distance) P-C4' energy: -69.572
flat angles C4'-P-C4' energy: -88.673
flat angles P-C4'-P energy: -53.723
tors. eta vs tors. theta energy: -87.273
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: 3
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1104.967439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.967439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.967439 (E_RNA)
where:
Base-Base interactions energy: -747.962
where: short stacking energy: -322.789
Base-Backbone interact. energy: -0.259
local terms energy: -356.746541
where:
bonds (distance) C4'-P energy: -75.769
bonds (distance) P-C4' energy: -65.911
flat angles C4'-P-C4' energy: -73.297
flat angles P-C4'-P energy: -46.615
tors. eta vs tors. theta energy: -95.154
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: 5
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -965.206206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.206206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.206206 (E_RNA)
where:
Base-Base interactions energy: -652.783
where: short stacking energy: -242.760
Base-Backbone interact. energy: -3.790
local terms energy: -308.632774
where:
bonds (distance) C4'-P energy: -61.807
bonds (distance) P-C4' energy: -76.067
flat angles C4'-P-C4' energy: -58.826
flat angles P-C4'-P energy: -52.879
tors. eta vs tors. theta energy: -59.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -902.882259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.882259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.882259 (E_RNA)
where:
Base-Base interactions energy: -601.539
where: short stacking energy: -236.346
Base-Backbone interact. energy: -0.435
local terms energy: -300.908409
where:
bonds (distance) C4'-P energy: -65.569
bonds (distance) P-C4' energy: -56.387
flat angles C4'-P-C4' energy: -61.180
flat angles P-C4'-P energy: -53.836
tors. eta vs tors. theta energy: -63.936
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: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -807.260762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.260762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.260762 (E_RNA)
where:
Base-Base interactions energy: -501.360
where: short stacking energy: -218.205
Base-Backbone interact. energy: 1.360
local terms energy: -307.261130
where:
bonds (distance) C4'-P energy: -60.793
bonds (distance) P-C4' energy: -69.603
flat angles C4'-P-C4' energy: -71.764
flat angles P-C4'-P energy: -43.859
tors. eta vs tors. theta energy: -61.241
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: 2
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -488.203010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.203010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.203010 (E_RNA)
where:
Base-Base interactions energy: -264.407
where: short stacking energy: -129.907
Base-Backbone interact. energy: -1.813
local terms energy: -221.983708
where:
bonds (distance) C4'-P energy: -64.336
bonds (distance) P-C4' energy: -60.230
flat angles C4'-P-C4' energy: -57.168
flat angles P-C4'-P energy: -34.165
tors. eta vs tors. theta energy: -6.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -497.809110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.809110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.809110 (E_RNA)
where:
Base-Base interactions energy: -254.532
where: short stacking energy: -133.391
Base-Backbone interact. energy: 2.252
local terms energy: -245.528674
where:
bonds (distance) C4'-P energy: -68.393
bonds (distance) P-C4' energy: -61.561
flat angles C4'-P-C4' energy: -56.257
flat angles P-C4'-P energy: -46.163
tors. eta vs tors. theta energy: -13.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -351.167549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.167549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.167549 (E_RNA)
where:
Base-Base interactions energy: -139.191
where: short stacking energy: -97.782
Base-Backbone interact. energy: 0.028
local terms energy: -212.004020
where:
bonds (distance) C4'-P energy: -73.389
bonds (distance) P-C4' energy: -62.646
flat angles C4'-P-C4' energy: -44.363
flat angles P-C4'-P energy: -34.242
tors. eta vs tors. theta energy: 2.636
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: 1, replica: 9
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1240.855248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.855248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.855248 (E_RNA)
where:
Base-Base interactions energy: -836.115
where: short stacking energy: -349.627
Base-Backbone interact. energy: -0.723
local terms energy: -404.017235
where:
bonds (distance) C4'-P energy: -80.595
bonds (distance) P-C4' energy: -77.074
flat angles C4'-P-C4' energy: -78.336
flat angles P-C4'-P energy: -63.173
tors. eta vs tors. theta energy: -104.839
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: 1
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1195.540807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.540807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.540807 (E_RNA)
where:
Base-Base interactions energy: -813.836
where: short stacking energy: -332.065
Base-Backbone interact. energy: 4.682
local terms energy: -386.386737
where:
bonds (distance) C4'-P energy: -65.134
bonds (distance) P-C4' energy: -77.691
flat angles C4'-P-C4' energy: -85.928
flat angles P-C4'-P energy: -47.184
tors. eta vs tors. theta energy: -110.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1121.498189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.498189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.498189 (E_RNA)
where:
Base-Base interactions energy: -780.243
where: short stacking energy: -309.832
Base-Backbone interact. energy: -0.240
local terms energy: -341.016050
where:
bonds (distance) C4'-P energy: -67.263
bonds (distance) P-C4' energy: -74.944
flat angles C4'-P-C4' energy: -64.235
flat angles P-C4'-P energy: -45.573
tors. eta vs tors. theta energy: -89.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1053.165983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.165983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.165983 (E_RNA)
where:
Base-Base interactions energy: -677.367
where: short stacking energy: -300.718
Base-Backbone interact. energy: -0.852
local terms energy: -374.947166
where:
bonds (distance) C4'-P energy: -74.523
bonds (distance) P-C4' energy: -76.526
flat angles C4'-P-C4' energy: -82.588
flat angles P-C4'-P energy: -54.254
tors. eta vs tors. theta energy: -87.055
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: 5
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -952.248964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.248964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.248964 (E_RNA)
where:
Base-Base interactions energy: -649.864
where: short stacking energy: -248.464
Base-Backbone interact. energy: -2.388
local terms energy: -299.996975
where:
bonds (distance) C4'-P energy: -60.382
bonds (distance) P-C4' energy: -64.003
flat angles C4'-P-C4' energy: -69.824
flat angles P-C4'-P energy: -45.706
tors. eta vs tors. theta energy: -60.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -888.978491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.978491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.978491 (E_RNA)
where:
Base-Base interactions energy: -601.225
where: short stacking energy: -246.656
Base-Backbone interact. energy: -1.410
local terms energy: -286.343582
where:
bonds (distance) C4'-P energy: -50.079
bonds (distance) P-C4' energy: -68.244
flat angles C4'-P-C4' energy: -65.327
flat angles P-C4'-P energy: -36.953
tors. eta vs tors. theta energy: -65.740
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: 7, replica: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -778.103847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.103847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.103847 (E_RNA)
where:
Base-Base interactions energy: -492.437
where: short stacking energy: -233.834
Base-Backbone interact. energy: 0.948
local terms energy: -286.614733
where:
bonds (distance) C4'-P energy: -59.001
bonds (distance) P-C4' energy: -60.807
flat angles C4'-P-C4' energy: -65.486
flat angles P-C4'-P energy: -43.376
tors. eta vs tors. theta energy: -57.946
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: 167
Temperature: 1.250000
Total energy: -531.356489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.356489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.356489 (E_RNA)
where:
Base-Base interactions energy: -299.506
where: short stacking energy: -115.361
Base-Backbone interact. energy: -1.530
local terms energy: -230.320504
where:
bonds (distance) C4'-P energy: -62.751
bonds (distance) P-C4' energy: -69.900
flat angles C4'-P-C4' energy: -65.293
flat angles P-C4'-P energy: -30.259
tors. eta vs tors. theta energy: -2.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -468.005215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.005215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.005215 (E_RNA)
where:
Base-Base interactions energy: -253.597
where: short stacking energy: -132.467
Base-Backbone interact. energy: -1.997
local terms energy: -212.411232
where:
bonds (distance) C4'-P energy: -55.336
bonds (distance) P-C4' energy: -61.440
flat angles C4'-P-C4' energy: -53.736
flat angles P-C4'-P energy: -26.668
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: 10, replica: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -354.514174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.514174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.514174 (E_RNA)
where:
Base-Base interactions energy: -152.112
where: short stacking energy: -99.176
Base-Backbone interact. energy: 3.005
local terms energy: -205.406967
where:
bonds (distance) C4'-P energy: -56.313
bonds (distance) P-C4' energy: -62.107
flat angles C4'-P-C4' energy: -47.241
flat angles P-C4'-P energy: -34.079
tors. eta vs tors. theta energy: -5.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1257.374926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.374926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.374926 (E_RNA)
where:
Base-Base interactions energy: -856.485
where: short stacking energy: -368.062
Base-Backbone interact. energy: -1.069
local terms energy: -399.821264
where:
bonds (distance) C4'-P energy: -70.512
bonds (distance) P-C4' energy: -77.713
flat angles C4'-P-C4' energy: -77.261
flat angles P-C4'-P energy: -61.759
tors. eta vs tors. theta energy: -112.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1193.388535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.388535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.388535 (E_RNA)
where:
Base-Base interactions energy: -805.797
where: short stacking energy: -339.326
Base-Backbone interact. energy: -2.224
local terms energy: -385.367549
where:
bonds (distance) C4'-P energy: -67.990
bonds (distance) P-C4' energy: -75.897
flat angles C4'-P-C4' energy: -85.588
flat angles P-C4'-P energy: -55.333
tors. eta vs tors. theta energy: -100.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1118.571667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.571667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.571667 (E_RNA)
where:
Base-Base interactions energy: -769.135
where: short stacking energy: -304.012
Base-Backbone interact. energy: -0.632
local terms energy: -348.804302
where:
bonds (distance) C4'-P energy: -61.181
bonds (distance) P-C4' energy: -68.125
flat angles C4'-P-C4' energy: -76.930
flat angles P-C4'-P energy: -54.569
tors. eta vs tors. theta energy: -87.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1073.092319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.092319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.092319 (E_RNA)
where:
Base-Base interactions energy: -700.007
where: short stacking energy: -317.458
Base-Backbone interact. energy: 0.749
local terms energy: -373.834173
where:
bonds (distance) C4'-P energy: -65.331
bonds (distance) P-C4' energy: -75.794
flat angles C4'-P-C4' energy: -79.154
flat angles P-C4'-P energy: -55.162
tors. eta vs tors. theta energy: -98.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -973.086569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.086569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.086569 (E_RNA)
where:
Base-Base interactions energy: -652.640
where: short stacking energy: -274.813
Base-Backbone interact. energy: 1.188
local terms energy: -321.634719
where:
bonds (distance) C4'-P energy: -67.918
bonds (distance) P-C4' energy: -73.009
flat angles C4'-P-C4' energy: -69.598
flat angles P-C4'-P energy: -40.544
tors. eta vs tors. theta energy: -70.566
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: 4
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -862.389202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.389202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.389202 (E_RNA)
where:
Base-Base interactions energy: -555.677
where: short stacking energy: -217.534
Base-Backbone interact. energy: -1.119
local terms energy: -305.592824
where:
bonds (distance) C4'-P energy: -78.381
bonds (distance) P-C4' energy: -65.897
flat angles C4'-P-C4' energy: -74.018
flat angles P-C4'-P energy: -38.030
tors. eta vs tors. theta energy: -49.267
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: 7, replica: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -791.167544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.167544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.167544 (E_RNA)
where:
Base-Base interactions energy: -516.267
where: short stacking energy: -234.395
Base-Backbone interact. energy: -2.616
local terms energy: -272.284608
where:
bonds (distance) C4'-P energy: -67.257
bonds (distance) P-C4' energy: -51.446
flat angles C4'-P-C4' energy: -57.922
flat angles P-C4'-P energy: -43.906
tors. eta vs tors. theta energy: -51.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -412.996710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.996710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.996710 (E_RNA)
where:
Base-Base interactions energy: -194.325
where: short stacking energy: -110.890
Base-Backbone interact. energy: -1.201
local terms energy: -217.470739
where:
bonds (distance) C4'-P energy: -66.170
bonds (distance) P-C4' energy: -66.843
flat angles C4'-P-C4' energy: -48.837
flat angles P-C4'-P energy: -40.972
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: 9, replica: 2
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -463.893639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.893639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.893639 (E_RNA)
where:
Base-Base interactions energy: -224.921
where: short stacking energy: -133.900
Base-Backbone interact. energy: 1.533
local terms energy: -240.505483
where:
bonds (distance) C4'-P energy: -62.731
bonds (distance) P-C4' energy: -69.844
flat angles C4'-P-C4' energy: -51.857
flat angles P-C4'-P energy: -32.828
tors. eta vs tors. theta energy: -23.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -350.623486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.623486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.623486 (E_RNA)
where:
Base-Base interactions energy: -157.942
where: short stacking energy: -101.654
Base-Backbone interact. energy: -1.715
local terms energy: -190.966783
where:
bonds (distance) C4'-P energy: -46.541
bonds (distance) P-C4' energy: -66.541
flat angles C4'-P-C4' energy: -50.024
flat angles P-C4'-P energy: -25.593
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: 9
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1275.659401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.659401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.659401 (E_RNA)
where:
Base-Base interactions energy: -877.729
where: short stacking energy: -360.953
Base-Backbone interact. energy: -1.548
local terms energy: -396.382629
where:
bonds (distance) C4'-P energy: -73.424
bonds (distance) P-C4' energy: -73.187
flat angles C4'-P-C4' energy: -88.313
flat angles P-C4'-P energy: -49.858
tors. eta vs tors. theta energy: -111.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1200.166512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.166512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.166512 (E_RNA)
where:
Base-Base interactions energy: -813.437
where: short stacking energy: -341.048
Base-Backbone interact. energy: -2.096
local terms energy: -384.633506
where:
bonds (distance) C4'-P energy: -77.292
bonds (distance) P-C4' energy: -71.649
flat angles C4'-P-C4' energy: -80.901
flat angles P-C4'-P energy: -55.265
tors. eta vs tors. theta energy: -99.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1091.865845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.865845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.865845 (E_RNA)
where:
Base-Base interactions energy: -749.313
where: short stacking energy: -296.507
Base-Backbone interact. energy: -1.102
local terms energy: -341.451318
where:
bonds (distance) C4'-P energy: -66.090
bonds (distance) P-C4' energy: -78.735
flat angles C4'-P-C4' energy: -71.333
flat angles P-C4'-P energy: -54.726
tors. eta vs tors. theta energy: -70.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1078.212131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.212131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.212131 (E_RNA)
where:
Base-Base interactions energy: -710.247
where: short stacking energy: -319.651
Base-Backbone interact. energy: -0.077
local terms energy: -367.887714
where:
bonds (distance) C4'-P energy: -70.618
bonds (distance) P-C4' energy: -76.023
flat angles C4'-P-C4' energy: -83.302
flat angles P-C4'-P energy: -36.716
tors. eta vs tors. theta energy: -101.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -985.253039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.253039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.253039 (E_RNA)
where:
Base-Base interactions energy: -682.174
where: short stacking energy: -270.145
Base-Backbone interact. energy: -2.487
local terms energy: -300.592232
where:
bonds (distance) C4'-P energy: -70.815
bonds (distance) P-C4' energy: -60.396
flat angles C4'-P-C4' energy: -67.956
flat angles P-C4'-P energy: -28.438
tors. eta vs tors. theta energy: -72.987
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: 4
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -845.978442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.978442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.978442 (E_RNA)
where:
Base-Base interactions energy: -540.340
where: short stacking energy: -224.609
Base-Backbone interact. energy: 1.476
local terms energy: -307.114495
where:
bonds (distance) C4'-P energy: -67.213
bonds (distance) P-C4' energy: -73.037
flat angles C4'-P-C4' energy: -71.669
flat angles P-C4'-P energy: -41.055
tors. eta vs tors. theta energy: -54.140
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: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -815.199665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.199665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.199665 (E_RNA)
where:
Base-Base interactions energy: -536.781
where: short stacking energy: -237.058
Base-Backbone interact. energy: -1.849
local terms energy: -276.569052
where:
bonds (distance) C4'-P energy: -64.442
bonds (distance) P-C4' energy: -58.315
flat angles C4'-P-C4' energy: -60.621
flat angles P-C4'-P energy: -30.183
tors. eta vs tors. theta energy: -63.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -493.618370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.618370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.618370 (E_RNA)
where:
Base-Base interactions energy: -242.886
where: short stacking energy: -135.142
Base-Backbone interact. energy: -0.366
local terms energy: -250.366585
where:
bonds (distance) C4'-P energy: -61.855
bonds (distance) P-C4' energy: -72.273
flat angles C4'-P-C4' energy: -57.575
flat angles P-C4'-P energy: -35.893
tors. eta vs tors. theta energy: -22.770
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: 8
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -430.826907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.826907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.826907 (E_RNA)
where:
Base-Base interactions energy: -215.467
where: short stacking energy: -112.470
Base-Backbone interact. energy: -0.852
local terms energy: -214.507016
where:
bonds (distance) C4'-P energy: -66.120
bonds (distance) P-C4' energy: -59.491
flat angles C4'-P-C4' energy: -37.480
flat angles P-C4'-P energy: -43.963
tors. eta vs tors. theta energy: -7.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -359.284246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.284246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.284246 (E_RNA)
where:
Base-Base interactions energy: -157.723
where: short stacking energy: -95.072
Base-Backbone interact. energy: -0.202
local terms energy: -201.358719
where:
bonds (distance) C4'-P energy: -55.747
bonds (distance) P-C4' energy: -64.551
flat angles C4'-P-C4' energy: -59.909
flat angles P-C4'-P energy: -32.482
tors. eta vs tors. theta energy: 11.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1249.013203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.013203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.013203 (E_RNA)
where:
Base-Base interactions energy: -857.459
where: short stacking energy: -353.149
Base-Backbone interact. energy: 0.789
local terms energy: -392.343035
where:
bonds (distance) C4'-P energy: -81.911
bonds (distance) P-C4' energy: -77.082
flat angles C4'-P-C4' energy: -78.034
flat angles P-C4'-P energy: -48.719
tors. eta vs tors. theta energy: -106.597
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: 1
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1213.660156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.660156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.660156 (E_RNA)
where:
Base-Base interactions energy: -810.951
where: short stacking energy: -347.087
Base-Backbone interact. energy: -1.002
local terms energy: -401.707621
where:
bonds (distance) C4'-P energy: -70.426
bonds (distance) P-C4' energy: -72.952
flat angles C4'-P-C4' energy: -85.667
flat angles P-C4'-P energy: -58.479
tors. eta vs tors. theta energy: -114.185
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: 7
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1125.894406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.894406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.894406 (E_RNA)
where:
Base-Base interactions energy: -786.388
where: short stacking energy: -300.800
Base-Backbone interact. energy: -1.701
local terms energy: -337.806137
where:
bonds (distance) C4'-P energy: -55.579
bonds (distance) P-C4' energy: -71.865
flat angles C4'-P-C4' energy: -70.953
flat angles P-C4'-P energy: -51.038
tors. eta vs tors. theta energy: -88.371
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: 3
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1097.170283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.170283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.170283 (E_RNA)
where:
Base-Base interactions energy: -745.251
where: short stacking energy: -314.392
Base-Backbone interact. energy: -0.911
local terms energy: -351.007847
where:
bonds (distance) C4'-P energy: -67.170
bonds (distance) P-C4' energy: -69.153
flat angles C4'-P-C4' energy: -78.744
flat angles P-C4'-P energy: -44.665
tors. eta vs tors. theta energy: -91.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -988.084324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.084324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.084324 (E_RNA)
where:
Base-Base interactions energy: -662.526
where: short stacking energy: -286.193
Base-Backbone interact. energy: -2.177
local terms energy: -323.381650
where:
bonds (distance) C4'-P energy: -72.081
bonds (distance) P-C4' energy: -57.000
flat angles C4'-P-C4' energy: -70.136
flat angles P-C4'-P energy: -47.792
tors. eta vs tors. theta energy: -76.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -832.641527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.641527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.641527 (E_RNA)
where:
Base-Base interactions energy: -548.413
where: short stacking energy: -207.093
Base-Backbone interact. energy: 3.661
local terms energy: -287.889536
where:
bonds (distance) C4'-P energy: -61.104
bonds (distance) P-C4' energy: -79.844
flat angles C4'-P-C4' energy: -71.643
flat angles P-C4'-P energy: -32.310
tors. eta vs tors. theta energy: -42.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -777.913260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.913260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.913260 (E_RNA)
where:
Base-Base interactions energy: -509.605
where: short stacking energy: -214.970
Base-Backbone interact. energy: 0.231
local terms energy: -268.539014
where:
bonds (distance) C4'-P energy: -56.117
bonds (distance) P-C4' energy: -63.729
flat angles C4'-P-C4' energy: -70.180
flat angles P-C4'-P energy: -21.169
tors. eta vs tors. theta energy: -57.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -463.229162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.229162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.229162 (E_RNA)
where:
Base-Base interactions energy: -237.934
where: short stacking energy: -132.648
Base-Backbone interact. energy: 1.956
local terms energy: -227.250927
where:
bonds (distance) C4'-P energy: -55.084
bonds (distance) P-C4' energy: -58.874
flat angles C4'-P-C4' energy: -66.376
flat angles P-C4'-P energy: -39.492
tors. eta vs tors. theta energy: -7.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -435.868916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.868916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.868916 (E_RNA)
where:
Base-Base interactions energy: -215.916
where: short stacking energy: -88.625
Base-Backbone interact. energy: -0.634
local terms energy: -219.318942
where:
bonds (distance) C4'-P energy: -59.966
bonds (distance) P-C4' energy: -67.036
flat angles C4'-P-C4' energy: -68.698
flat angles P-C4'-P energy: -30.200
tors. eta vs tors. theta energy: 6.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -364.741979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.741979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.741979 (E_RNA)
where:
Base-Base interactions energy: -165.693
where: short stacking energy: -105.455
Base-Backbone interact. energy: 0.448
local terms energy: -199.496695
where:
bonds (distance) C4'-P energy: -66.132
bonds (distance) P-C4' energy: -56.848
flat angles C4'-P-C4' energy: -43.650
flat angles P-C4'-P energy: -36.572
tors. eta vs tors. theta energy: 3.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1256.882877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.882877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.882877 (E_RNA)
where:
Base-Base interactions energy: -847.741
where: short stacking energy: -352.370
Base-Backbone interact. energy: -0.660
local terms energy: -408.481968
where:
bonds (distance) C4'-P energy: -80.360
bonds (distance) P-C4' energy: -80.739
flat angles C4'-P-C4' energy: -86.272
flat angles P-C4'-P energy: -52.703
tors. eta vs tors. theta energy: -108.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1221.324811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.324811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.324811 (E_RNA)
where:
Base-Base interactions energy: -831.586
where: short stacking energy: -360.505
Base-Backbone interact. energy: -3.058
local terms energy: -386.680893
where:
bonds (distance) C4'-P energy: -74.362
bonds (distance) P-C4' energy: -68.850
flat angles C4'-P-C4' energy: -80.727
flat angles P-C4'-P energy: -51.443
tors. eta vs tors. theta energy: -111.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1134.576442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.576442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.576442 (E_RNA)
where:
Base-Base interactions energy: -766.413
where: short stacking energy: -318.215
Base-Backbone interact. energy: -1.016
local terms energy: -367.147015
where:
bonds (distance) C4'-P energy: -70.871
bonds (distance) P-C4' energy: -74.952
flat angles C4'-P-C4' energy: -77.663
flat angles P-C4'-P energy: -50.690
tors. eta vs tors. theta energy: -92.972
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: 3
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1088.025758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.025758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.025758 (E_RNA)
where:
Base-Base interactions energy: -717.378
where: short stacking energy: -274.348
Base-Backbone interact. energy: -1.926
local terms energy: -368.721697
where:
bonds (distance) C4'-P energy: -70.066
bonds (distance) P-C4' energy: -70.041
flat angles C4'-P-C4' energy: -80.104
flat angles P-C4'-P energy: -57.596
tors. eta vs tors. theta energy: -90.915
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: 171
Temperature: 1.100000
Total energy: -953.725528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.725528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.725528 (E_RNA)
where:
Base-Base interactions energy: -628.925
where: short stacking energy: -272.060
Base-Backbone interact. energy: 0.011
local terms energy: -324.811779
where:
bonds (distance) C4'-P energy: -74.653
bonds (distance) P-C4' energy: -71.874
flat angles C4'-P-C4' energy: -71.455
flat angles P-C4'-P energy: -44.389
tors. eta vs tors. theta energy: -62.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -870.287571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.287571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.287571 (E_RNA)
where:
Base-Base interactions energy: -562.691
where: short stacking energy: -249.578
Base-Backbone interact. energy: -0.546
local terms energy: -307.050852
where:
bonds (distance) C4'-P energy: -66.102
bonds (distance) P-C4' energy: -70.480
flat angles C4'-P-C4' energy: -69.977
flat angles P-C4'-P energy: -40.944
tors. eta vs tors. theta energy: -59.549
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: 171
Temperature: 1.200000
Total energy: -810.859078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.859078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.859078 (E_RNA)
where:
Base-Base interactions energy: -520.017
where: short stacking energy: -246.037
Base-Backbone interact. energy: -0.108
local terms energy: -290.734470
where:
bonds (distance) C4'-P energy: -59.200
bonds (distance) P-C4' energy: -58.527
flat angles C4'-P-C4' energy: -64.032
flat angles P-C4'-P energy: -38.566
tors. eta vs tors. theta energy: -70.410
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: 2
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -471.746142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.746142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.746142 (E_RNA)
where:
Base-Base interactions energy: -235.500
where: short stacking energy: -127.652
Base-Backbone interact. energy: 1.688
local terms energy: -237.933826
where:
bonds (distance) C4'-P energy: -72.146
bonds (distance) P-C4' energy: -71.369
flat angles C4'-P-C4' energy: -49.231
flat angles P-C4'-P energy: -33.746
tors. eta vs tors. theta energy: -11.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -416.136958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.136958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.136958 (E_RNA)
where:
Base-Base interactions energy: -202.979
where: short stacking energy: -105.111
Base-Backbone interact. energy: -0.298
local terms energy: -212.859359
where:
bonds (distance) C4'-P energy: -61.065
bonds (distance) P-C4' energy: -74.108
flat angles C4'-P-C4' energy: -61.875
flat angles P-C4'-P energy: -22.203
tors. eta vs tors. theta energy: 6.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -364.447708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.447708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.447708 (E_RNA)
where:
Base-Base interactions energy: -166.509
where: short stacking energy: -108.796
Base-Backbone interact. energy: 1.182
local terms energy: -199.120802
where:
bonds (distance) C4'-P energy: -64.638
bonds (distance) P-C4' energy: -50.523
flat angles C4'-P-C4' energy: -52.751
flat angles P-C4'-P energy: -29.630
tors. eta vs tors. theta energy: -1.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1272.141574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.141574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.141574 (E_RNA)
where:
Base-Base interactions energy: -888.077
where: short stacking energy: -357.059
Base-Backbone interact. energy: 0.718
local terms energy: -384.782394
where:
bonds (distance) C4'-P energy: -58.508
bonds (distance) P-C4' energy: -77.367
flat angles C4'-P-C4' energy: -80.151
flat angles P-C4'-P energy: -57.802
tors. eta vs tors. theta energy: -110.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1229.699528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.699528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.699528 (E_RNA)
where:
Base-Base interactions energy: -833.543
where: short stacking energy: -366.186
Base-Backbone interact. energy: -1.813
local terms energy: -394.343240
where:
bonds (distance) C4'-P energy: -66.408
bonds (distance) P-C4' energy: -77.578
flat angles C4'-P-C4' energy: -84.880
flat angles P-C4'-P energy: -51.250
tors. eta vs tors. theta energy: -114.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1151.001540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.001540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.001540 (E_RNA)
where:
Base-Base interactions energy: -796.505
where: short stacking energy: -327.120
Base-Backbone interact. energy: -3.157
local terms energy: -351.340073
where:
bonds (distance) C4'-P energy: -59.960
bonds (distance) P-C4' energy: -68.354
flat angles C4'-P-C4' energy: -77.430
flat angles P-C4'-P energy: -57.350
tors. eta vs tors. theta energy: -88.246
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: 3
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1064.865617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.865617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.865617 (E_RNA)
where:
Base-Base interactions energy: -705.602
where: short stacking energy: -295.423
Base-Backbone interact. energy: 0.893
local terms energy: -360.157275
where:
bonds (distance) C4'-P energy: -71.438
bonds (distance) P-C4' energy: -64.186
flat angles C4'-P-C4' energy: -78.546
flat angles P-C4'-P energy: -56.558
tors. eta vs tors. theta energy: -89.429
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: 5
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -955.580555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.580555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.580555 (E_RNA)
where:
Base-Base interactions energy: -622.789
where: short stacking energy: -273.834
Base-Backbone interact. energy: -2.121
local terms energy: -330.670386
where:
bonds (distance) C4'-P energy: -70.356
bonds (distance) P-C4' energy: -65.491
flat angles C4'-P-C4' energy: -80.047
flat angles P-C4'-P energy: -38.382
tors. eta vs tors. theta energy: -76.394
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: 6, replica: 4
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -895.162731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.162731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.162731 (E_RNA)
where:
Base-Base interactions energy: -588.954
where: short stacking energy: -219.970
Base-Backbone interact. energy: -2.935
local terms energy: -303.274145
where:
bonds (distance) C4'-P energy: -63.236
bonds (distance) P-C4' energy: -72.962
flat angles C4'-P-C4' energy: -65.573
flat angles P-C4'-P energy: -47.849
tors. eta vs tors. theta energy: -53.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -757.189779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.189779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.189779 (E_RNA)
where:
Base-Base interactions energy: -473.783
where: short stacking energy: -211.568
Base-Backbone interact. energy: -0.931
local terms energy: -282.475439
where:
bonds (distance) C4'-P energy: -61.653
bonds (distance) P-C4' energy: -57.193
flat angles C4'-P-C4' energy: -71.030
flat angles P-C4'-P energy: -45.541
tors. eta vs tors. theta energy: -47.057
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: 2
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -503.389322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.389322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.389322 (E_RNA)
where:
Base-Base interactions energy: -274.639
where: short stacking energy: -142.075
Base-Backbone interact. energy: -1.504
local terms energy: -227.246295
where:
bonds (distance) C4'-P energy: -65.745
bonds (distance) P-C4' energy: -67.075
flat angles C4'-P-C4' energy: -48.527
flat angles P-C4'-P energy: -35.829
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: 9, replica: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -388.065705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.065705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.065705 (E_RNA)
where:
Base-Base interactions energy: -164.709
where: short stacking energy: -95.695
Base-Backbone interact. energy: -1.284
local terms energy: -222.072864
where:
bonds (distance) C4'-P energy: -68.553
bonds (distance) P-C4' energy: -64.871
flat angles C4'-P-C4' energy: -58.942
flat angles P-C4'-P energy: -39.688
tors. eta vs tors. theta energy: 9.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -366.198426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.198426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.198426 (E_RNA)
where:
Base-Base interactions energy: -183.974
where: short stacking energy: -107.734
Base-Backbone interact. energy: 1.741
local terms energy: -183.965581
where:
bonds (distance) C4'-P energy: -53.473
bonds (distance) P-C4' energy: -57.612
flat angles C4'-P-C4' energy: -48.657
flat angles P-C4'-P energy: -29.955
tors. eta vs tors. theta energy: 5.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1263.247874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.247874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.247874 (E_RNA)
where:
Base-Base interactions energy: -864.816
where: short stacking energy: -371.901
Base-Backbone interact. energy: -0.784
local terms energy: -397.647877
where:
bonds (distance) C4'-P energy: -76.349
bonds (distance) P-C4' energy: -73.247
flat angles C4'-P-C4' energy: -77.022
flat angles P-C4'-P energy: -57.674
tors. eta vs tors. theta energy: -113.356
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: 1
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1231.069594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.069594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.069594 (E_RNA)
where:
Base-Base interactions energy: -834.454
where: short stacking energy: -373.905
Base-Backbone interact. energy: -2.683
local terms energy: -393.932863
where:
bonds (distance) C4'-P energy: -69.385
bonds (distance) P-C4' energy: -67.565
flat angles C4'-P-C4' energy: -83.214
flat angles P-C4'-P energy: -58.179
tors. eta vs tors. theta energy: -115.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1136.565606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.565606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.565606 (E_RNA)
where:
Base-Base interactions energy: -789.161
where: short stacking energy: -316.496
Base-Backbone interact. energy: -0.897
local terms energy: -346.507471
where:
bonds (distance) C4'-P energy: -59.205
bonds (distance) P-C4' energy: -65.321
flat angles C4'-P-C4' energy: -84.096
flat angles P-C4'-P energy: -53.239
tors. eta vs tors. theta energy: -84.646
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: 3
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1069.300711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.300711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.300711 (E_RNA)
where:
Base-Base interactions energy: -729.214
where: short stacking energy: -302.070
Base-Backbone interact. energy: -2.060
local terms energy: -338.027165
where:
bonds (distance) C4'-P energy: -72.699
bonds (distance) P-C4' energy: -69.935
flat angles C4'-P-C4' energy: -69.757
flat angles P-C4'-P energy: -41.828
tors. eta vs tors. theta energy: -83.808
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: 5
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -972.221240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.221240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.221240 (E_RNA)
where:
Base-Base interactions energy: -645.009
where: short stacking energy: -281.948
Base-Backbone interact. energy: 0.628
local terms energy: -327.840655
where:
bonds (distance) C4'-P energy: -59.201
bonds (distance) P-C4' energy: -65.958
flat angles C4'-P-C4' energy: -80.536
flat angles P-C4'-P energy: -46.139
tors. eta vs tors. theta energy: -76.007
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: 4
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -866.505994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.505994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.505994 (E_RNA)
where:
Base-Base interactions energy: -559.253
where: short stacking energy: -224.406
Base-Backbone interact. energy: -1.055
local terms energy: -306.198662
where:
bonds (distance) C4'-P energy: -59.530
bonds (distance) P-C4' energy: -63.517
flat angles C4'-P-C4' energy: -74.428
flat angles P-C4'-P energy: -52.602
tors. eta vs tors. theta energy: -56.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -724.031060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.031060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.031060 (E_RNA)
where:
Base-Base interactions energy: -439.176
where: short stacking energy: -209.909
Base-Backbone interact. energy: 0.624
local terms energy: -285.478770
where:
bonds (distance) C4'-P energy: -64.206
bonds (distance) P-C4' energy: -80.376
flat angles C4'-P-C4' energy: -58.758
flat angles P-C4'-P energy: -45.542
tors. eta vs tors. theta energy: -36.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -501.937273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.937273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.937273 (E_RNA)
where:
Base-Base interactions energy: -267.469
where: short stacking energy: -120.667
Base-Backbone interact. energy: -1.479
local terms energy: -232.988853
where:
bonds (distance) C4'-P energy: -69.390
bonds (distance) P-C4' energy: -72.097
flat angles C4'-P-C4' energy: -54.936
flat angles P-C4'-P energy: -36.570
tors. eta vs tors. theta energy: 0.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -391.923209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.923209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.923209 (E_RNA)
where:
Base-Base interactions energy: -192.605
where: short stacking energy: -119.113
Base-Backbone interact. energy: -0.725
local terms energy: -198.593373
where:
bonds (distance) C4'-P energy: -54.106
bonds (distance) P-C4' energy: -65.944
flat angles C4'-P-C4' energy: -61.334
flat angles P-C4'-P energy: -15.210
tors. eta vs tors. theta energy: -2.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -331.764009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.764009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.764009 (E_RNA)
where:
Base-Base interactions energy: -136.371
where: short stacking energy: -85.662
Base-Backbone interact. energy: -2.293
local terms energy: -193.099872
where:
bonds (distance) C4'-P energy: -59.509
bonds (distance) P-C4' energy: -72.348
flat angles C4'-P-C4' energy: -53.626
flat angles P-C4'-P energy: -23.784
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: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1257.769284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.769284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.769284 (E_RNA)
where:
Base-Base interactions energy: -836.633
where: short stacking energy: -371.890
Base-Backbone interact. energy: -1.138
local terms energy: -419.997618
where:
bonds (distance) C4'-P energy: -86.624
bonds (distance) P-C4' energy: -81.689
flat angles C4'-P-C4' energy: -83.184
flat angles P-C4'-P energy: -49.871
tors. eta vs tors. theta energy: -118.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1228.961692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.961692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.961692 (E_RNA)
where:
Base-Base interactions energy: -835.989
where: short stacking energy: -364.030
Base-Backbone interact. energy: -0.771
local terms energy: -392.202462
where:
bonds (distance) C4'-P energy: -69.206
bonds (distance) P-C4' energy: -71.069
flat angles C4'-P-C4' energy: -86.725
flat angles P-C4'-P energy: -53.555
tors. eta vs tors. theta energy: -111.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1091.672838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.672838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.672838 (E_RNA)
where:
Base-Base interactions energy: -739.703
where: short stacking energy: -287.639
Base-Backbone interact. energy: 0.286
local terms energy: -352.255105
where:
bonds (distance) C4'-P energy: -75.762
bonds (distance) P-C4' energy: -65.710
flat angles C4'-P-C4' energy: -72.482
flat angles P-C4'-P energy: -56.896
tors. eta vs tors. theta energy: -81.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1077.532586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.532586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.532586 (E_RNA)
where:
Base-Base interactions energy: -724.481
where: short stacking energy: -295.101
Base-Backbone interact. energy: 0.589
local terms energy: -353.640512
where:
bonds (distance) C4'-P energy: -68.354
bonds (distance) P-C4' energy: -67.639
flat angles C4'-P-C4' energy: -71.260
flat angles P-C4'-P energy: -52.470
tors. eta vs tors. theta energy: -93.918
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: 5, replica: 5
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1004.107920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.107920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.107920 (E_RNA)
where:
Base-Base interactions energy: -675.397
where: short stacking energy: -306.250
Base-Backbone interact. energy: -1.617
local terms energy: -327.093656
where:
bonds (distance) C4'-P energy: -74.777
bonds (distance) P-C4' energy: -52.811
flat angles C4'-P-C4' energy: -63.781
flat angles P-C4'-P energy: -53.350
tors. eta vs tors. theta energy: -82.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -868.911082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.911082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.911082 (E_RNA)
where:
Base-Base interactions energy: -565.853
where: short stacking energy: -228.348
Base-Backbone interact. energy: 0.716
local terms energy: -303.774444
where:
bonds (distance) C4'-P energy: -70.807
bonds (distance) P-C4' energy: -61.788
flat angles C4'-P-C4' energy: -67.940
flat angles P-C4'-P energy: -42.670
tors. eta vs tors. theta energy: -60.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -734.900875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.900875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.900875 (E_RNA)
where:
Base-Base interactions energy: -442.421
where: short stacking energy: -207.295
Base-Backbone interact. energy: 2.005
local terms energy: -294.484746
where:
bonds (distance) C4'-P energy: -70.806
bonds (distance) P-C4' energy: -67.030
flat angles C4'-P-C4' energy: -58.228
flat angles P-C4'-P energy: -47.145
tors. eta vs tors. theta energy: -51.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -487.319693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.319693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.319693 (E_RNA)
where:
Base-Base interactions energy: -242.499
where: short stacking energy: -131.861
Base-Backbone interact. energy: -1.802
local terms energy: -243.018735
where:
bonds (distance) C4'-P energy: -58.261
bonds (distance) P-C4' energy: -61.143
flat angles C4'-P-C4' energy: -56.911
flat angles P-C4'-P energy: -47.206
tors. eta vs tors. theta energy: -19.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -367.147250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.147250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.147250 (E_RNA)
where:
Base-Base interactions energy: -161.699
where: short stacking energy: -115.118
Base-Backbone interact. energy: -0.419
local terms energy: -205.029091
where:
bonds (distance) C4'-P energy: -60.958
bonds (distance) P-C4' energy: -59.767
flat angles C4'-P-C4' energy: -59.246
flat angles P-C4'-P energy: -28.334
tors. eta vs tors. theta energy: 3.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -362.592924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.592924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.592924 (E_RNA)
where:
Base-Base interactions energy: -147.766
where: short stacking energy: -65.274
Base-Backbone interact. energy: 0.351
local terms energy: -215.177299
where:
bonds (distance) C4'-P energy: -61.874
bonds (distance) P-C4' energy: -68.874
flat angles C4'-P-C4' energy: -63.457
flat angles P-C4'-P energy: -38.550
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: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1260.963870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.963870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.963870 (E_RNA)
where:
Base-Base interactions energy: -848.198
where: short stacking energy: -360.573
Base-Backbone interact. energy: -1.659
local terms energy: -411.106651
where:
bonds (distance) C4'-P energy: -83.559
bonds (distance) P-C4' energy: -69.935
flat angles C4'-P-C4' energy: -82.377
flat angles P-C4'-P energy: -60.275
tors. eta vs tors. theta energy: -114.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1227.342384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.342384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.342384 (E_RNA)
where:
Base-Base interactions energy: -821.903
where: short stacking energy: -344.666
Base-Backbone interact. energy: -0.355
local terms energy: -405.084857
where:
bonds (distance) C4'-P energy: -74.507
bonds (distance) P-C4' energy: -77.844
flat angles C4'-P-C4' energy: -81.212
flat angles P-C4'-P energy: -63.250
tors. eta vs tors. theta energy: -108.271
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: 7
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -1129.393255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.393255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.393255 (E_RNA)
where:
Base-Base interactions energy: -756.069
where: short stacking energy: -300.364
Base-Backbone interact. energy: -0.954
local terms energy: -372.370283
where:
bonds (distance) C4'-P energy: -62.708
bonds (distance) P-C4' energy: -74.623
flat angles C4'-P-C4' energy: -77.548
flat angles P-C4'-P energy: -57.847
tors. eta vs tors. theta energy: -99.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -1107.434374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.434374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.434374 (E_RNA)
where:
Base-Base interactions energy: -744.779
where: short stacking energy: -332.960
Base-Backbone interact. energy: -2.208
local terms energy: -360.447355
where:
bonds (distance) C4'-P energy: -55.818
bonds (distance) P-C4' energy: -62.549
flat angles C4'-P-C4' energy: -82.968
flat angles P-C4'-P energy: -62.170
tors. eta vs tors. theta energy: -96.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -950.858575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.858575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.858575 (E_RNA)
where:
Base-Base interactions energy: -653.785
where: short stacking energy: -300.135
Base-Backbone interact. energy: -0.426
local terms energy: -296.648163
where:
bonds (distance) C4'-P energy: -63.243
bonds (distance) P-C4' energy: -57.443
flat angles C4'-P-C4' energy: -57.257
flat angles P-C4'-P energy: -36.530
tors. eta vs tors. theta energy: -82.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -887.556687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.556687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.556687 (E_RNA)
where:
Base-Base interactions energy: -585.095
where: short stacking energy: -228.305
Base-Backbone interact. energy: -2.065
local terms energy: -300.396973
where:
bonds (distance) C4'-P energy: -68.088
bonds (distance) P-C4' energy: -66.916
flat angles C4'-P-C4' energy: -67.828
flat angles P-C4'-P energy: -37.701
tors. eta vs tors. theta energy: -59.864
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: 10
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -718.626923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.626923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.626923 (E_RNA)
where:
Base-Base interactions energy: -409.908
where: short stacking energy: -207.311
Base-Backbone interact. energy: -0.835
local terms energy: -307.883988
where:
bonds (distance) C4'-P energy: -63.166
bonds (distance) P-C4' energy: -74.602
flat angles C4'-P-C4' energy: -72.516
flat angles P-C4'-P energy: -52.344
tors. eta vs tors. theta energy: -45.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -627.085778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.085778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.085778 (E_RNA)
where:
Base-Base interactions energy: -388.728
where: short stacking energy: -174.856
Base-Backbone interact. energy: 1.146
local terms energy: -239.503825
where:
bonds (distance) C4'-P energy: -65.484
bonds (distance) P-C4' energy: -57.621
flat angles C4'-P-C4' energy: -53.098
flat angles P-C4'-P energy: -44.942
tors. eta vs tors. theta energy: -18.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -319.361651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.361651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.361651 (E_RNA)
where:
Base-Base interactions energy: -120.435
where: short stacking energy: -90.788
Base-Backbone interact. energy: -1.301
local terms energy: -197.625286
where:
bonds (distance) C4'-P energy: -65.432
bonds (distance) P-C4' energy: -62.665
flat angles C4'-P-C4' energy: -43.365
flat angles P-C4'-P energy: -39.596
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: 10, replica: 8
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -341.096270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.096270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.096270 (E_RNA)
where:
Base-Base interactions energy: -136.634
where: short stacking energy: -76.008
Base-Backbone interact. energy: -2.092
local terms energy: -202.369982
where:
bonds (distance) C4'-P energy: -61.411
bonds (distance) P-C4' energy: -65.886
flat angles C4'-P-C4' energy: -49.818
flat angles P-C4'-P energy: -27.220
tors. eta vs tors. theta energy: 1.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1258.348846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.348846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.348846 (E_RNA)
where:
Base-Base interactions energy: -856.567
where: short stacking energy: -361.629
Base-Backbone interact. energy: -1.867
local terms energy: -399.914425
where:
bonds (distance) C4'-P energy: -74.112
bonds (distance) P-C4' energy: -70.801
flat angles C4'-P-C4' energy: -93.956
flat angles P-C4'-P energy: -53.672
tors. eta vs tors. theta energy: -107.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1233.965829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.965829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.965829 (E_RNA)
where:
Base-Base interactions energy: -840.909
where: short stacking energy: -355.171
Base-Backbone interact. energy: -0.518
local terms energy: -392.538636
where:
bonds (distance) C4'-P energy: -61.531
bonds (distance) P-C4' energy: -79.015
flat angles C4'-P-C4' energy: -80.626
flat angles P-C4'-P energy: -54.562
tors. eta vs tors. theta energy: -116.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1134.029891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.029891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.029891 (E_RNA)
where:
Base-Base interactions energy: -761.910
where: short stacking energy: -309.199
Base-Backbone interact. energy: -1.292
local terms energy: -370.828050
where:
bonds (distance) C4'-P energy: -75.381
bonds (distance) P-C4' energy: -78.613
flat angles C4'-P-C4' energy: -76.571
flat angles P-C4'-P energy: -43.708
tors. eta vs tors. theta energy: -96.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1084.545182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.545182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.545182 (E_RNA)
where:
Base-Base interactions energy: -747.797
where: short stacking energy: -306.354
Base-Backbone interact. energy: -0.064
local terms energy: -336.683520
where:
bonds (distance) C4'-P energy: -62.113
bonds (distance) P-C4' energy: -74.117
flat angles C4'-P-C4' energy: -73.515
flat angles P-C4'-P energy: -43.283
tors. eta vs tors. theta energy: -83.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -958.962843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.962843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.962843 (E_RNA)
where:
Base-Base interactions energy: -633.805
where: short stacking energy: -272.924
Base-Backbone interact. energy: -1.373
local terms energy: -323.785451
where:
bonds (distance) C4'-P energy: -60.169
bonds (distance) P-C4' energy: -68.381
flat angles C4'-P-C4' energy: -66.294
flat angles P-C4'-P energy: -62.626
tors. eta vs tors. theta energy: -66.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -885.090094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.090094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.090094 (E_RNA)
where:
Base-Base interactions energy: -580.882
where: short stacking energy: -245.290
Base-Backbone interact. energy: 1.573
local terms energy: -305.780802
where:
bonds (distance) C4'-P energy: -71.604
bonds (distance) P-C4' energy: -64.983
flat angles C4'-P-C4' energy: -62.854
flat angles P-C4'-P energy: -43.054
tors. eta vs tors. theta energy: -63.285
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: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -727.707352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.707352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.707352 (E_RNA)
where:
Base-Base interactions energy: -437.542
where: short stacking energy: -195.615
Base-Backbone interact. energy: -0.626
local terms energy: -289.538854
where:
bonds (distance) C4'-P energy: -56.152
bonds (distance) P-C4' energy: -73.562
flat angles C4'-P-C4' energy: -66.552
flat angles P-C4'-P energy: -38.141
tors. eta vs tors. theta energy: -55.132
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: 2
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -597.761247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.761247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.761247 (E_RNA)
where:
Base-Base interactions energy: -350.265
where: short stacking energy: -179.786
Base-Backbone interact. energy: -0.384
local terms energy: -247.112610
where:
bonds (distance) C4'-P energy: -59.324
bonds (distance) P-C4' energy: -73.333
flat angles C4'-P-C4' energy: -69.205
flat angles P-C4'-P energy: -35.653
tors. eta vs tors. theta energy: -9.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -392.098445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.098445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.098445 (E_RNA)
where:
Base-Base interactions energy: -188.973
where: short stacking energy: -113.764
Base-Backbone interact. energy: -0.216
local terms energy: -202.909189
where:
bonds (distance) C4'-P energy: -46.195
bonds (distance) P-C4' energy: -67.667
flat angles C4'-P-C4' energy: -49.385
flat angles P-C4'-P energy: -34.200
tors. eta vs tors. theta energy: -5.464
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: 10, replica: 6
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -292.100235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.100235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.100235 (E_RNA)
where:
Base-Base interactions energy: -86.875
where: short stacking energy: -66.584
Base-Backbone interact. energy: -0.699
local terms energy: -204.526719
where:
bonds (distance) C4'-P energy: -51.566
bonds (distance) P-C4' energy: -71.985
flat angles C4'-P-C4' energy: -50.765
flat angles P-C4'-P energy: -34.482
tors. eta vs tors. theta energy: 4.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1244.822415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.822415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.822415 (E_RNA)
where:
Base-Base interactions energy: -830.431
where: short stacking energy: -368.303
Base-Backbone interact. energy: -0.902
local terms energy: -413.490176
where:
bonds (distance) C4'-P energy: -78.816
bonds (distance) P-C4' energy: -72.612
flat angles C4'-P-C4' energy: -86.214
flat angles P-C4'-P energy: -60.936
tors. eta vs tors. theta energy: -114.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1219.009070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.009070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.009070 (E_RNA)
where:
Base-Base interactions energy: -825.081
where: short stacking energy: -335.905
Base-Backbone interact. energy: -1.585
local terms energy: -392.342634
where:
bonds (distance) C4'-P energy: -72.996
bonds (distance) P-C4' energy: -74.790
flat angles C4'-P-C4' energy: -88.151
flat angles P-C4'-P energy: -48.928
tors. eta vs tors. theta energy: -107.478
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: 3
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1125.784307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.784307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.784307 (E_RNA)
where:
Base-Base interactions energy: -760.221
where: short stacking energy: -320.897
Base-Backbone interact. energy: -0.122
local terms energy: -365.441068
where:
bonds (distance) C4'-P energy: -62.906
bonds (distance) P-C4' energy: -71.442
flat angles C4'-P-C4' energy: -88.261
flat angles P-C4'-P energy: -45.643
tors. eta vs tors. theta energy: -97.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1111.285318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.285318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.285318 (E_RNA)
where:
Base-Base interactions energy: -773.441
where: short stacking energy: -323.304
Base-Backbone interact. energy: 1.314
local terms energy: -339.158025
where:
bonds (distance) C4'-P energy: -69.407
bonds (distance) P-C4' energy: -62.377
flat angles C4'-P-C4' energy: -72.414
flat angles P-C4'-P energy: -53.476
tors. eta vs tors. theta energy: -81.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1000.803282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.803282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.803282 (E_RNA)
where:
Base-Base interactions energy: -668.704
where: short stacking energy: -273.340
Base-Backbone interact. energy: -1.135
local terms energy: -330.963788
where:
bonds (distance) C4'-P energy: -70.927
bonds (distance) P-C4' energy: -69.931
flat angles C4'-P-C4' energy: -64.311
flat angles P-C4'-P energy: -42.818
tors. eta vs tors. theta energy: -82.976
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: 4
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -926.758510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.758510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.758510 (E_RNA)
where:
Base-Base interactions energy: -624.758
where: short stacking energy: -261.774
Base-Backbone interact. energy: 0.110
local terms energy: -302.110115
where:
bonds (distance) C4'-P energy: -55.957
bonds (distance) P-C4' energy: -67.066
flat angles C4'-P-C4' energy: -76.863
flat angles P-C4'-P energy: -36.910
tors. eta vs tors. theta energy: -65.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -736.027177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.027177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.027177 (E_RNA)
where:
Base-Base interactions energy: -465.088
where: short stacking energy: -219.902
Base-Backbone interact. energy: 3.360
local terms energy: -274.299221
where:
bonds (distance) C4'-P energy: -53.331
bonds (distance) P-C4' energy: -74.719
flat angles C4'-P-C4' energy: -57.309
flat angles P-C4'-P energy: -44.880
tors. eta vs tors. theta energy: -44.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -647.354297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.354297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.354297 (E_RNA)
where:
Base-Base interactions energy: -400.357
where: short stacking energy: -191.257
Base-Backbone interact. energy: 2.329
local terms energy: -249.326443
where:
bonds (distance) C4'-P energy: -66.057
bonds (distance) P-C4' energy: -66.823
flat angles C4'-P-C4' energy: -57.872
flat angles P-C4'-P energy: -34.570
tors. eta vs tors. theta energy: -24.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -369.072173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.072173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.072173 (E_RNA)
where:
Base-Base interactions energy: -156.390
where: short stacking energy: -110.515
Base-Backbone interact. energy: 3.117
local terms energy: -215.799785
where:
bonds (distance) C4'-P energy: -52.162
bonds (distance) P-C4' energy: -62.755
flat angles C4'-P-C4' energy: -59.204
flat angles P-C4'-P energy: -38.139
tors. eta vs tors. theta energy: -3.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -300.857206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.857206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.857206 (E_RNA)
where:
Base-Base interactions energy: -123.429
where: short stacking energy: -87.767
Base-Backbone interact. energy: 0.933
local terms energy: -178.361258
where:
bonds (distance) C4'-P energy: -58.790
bonds (distance) P-C4' energy: -70.118
flat angles C4'-P-C4' energy: -39.623
flat angles P-C4'-P energy: -34.602
tors. eta vs tors. theta energy: 24.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1255.135368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.135368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.135368 (E_RNA)
where:
Base-Base interactions energy: -832.440
where: short stacking energy: -353.346
Base-Backbone interact. energy: -0.447
local terms energy: -422.247848
where:
bonds (distance) C4'-P energy: -76.371
bonds (distance) P-C4' energy: -85.492
flat angles C4'-P-C4' energy: -85.284
flat angles P-C4'-P energy: -63.511
tors. eta vs tors. theta energy: -111.590
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: 1
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1225.617468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.617468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.617468 (E_RNA)
where:
Base-Base interactions energy: -824.537
where: short stacking energy: -361.035
Base-Backbone interact. energy: -2.224
local terms energy: -398.856361
where:
bonds (distance) C4'-P energy: -70.996
bonds (distance) P-C4' energy: -69.765
flat angles C4'-P-C4' energy: -84.143
flat angles P-C4'-P energy: -56.751
tors. eta vs tors. theta energy: -117.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1118.195168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.195168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.195168 (E_RNA)
where:
Base-Base interactions energy: -760.596
where: short stacking energy: -331.906
Base-Backbone interact. energy: -0.386
local terms energy: -357.212672
where:
bonds (distance) C4'-P energy: -77.724
bonds (distance) P-C4' energy: -72.032
flat angles C4'-P-C4' energy: -70.150
flat angles P-C4'-P energy: -48.808
tors. eta vs tors. theta energy: -88.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -1064.033899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.033899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.033899 (E_RNA)
where:
Base-Base interactions energy: -721.382
where: short stacking energy: -285.427
Base-Backbone interact. energy: -1.649
local terms energy: -341.003271
where:
bonds (distance) C4'-P energy: -68.938
bonds (distance) P-C4' energy: -71.754
flat angles C4'-P-C4' energy: -70.503
flat angles P-C4'-P energy: -48.860
tors. eta vs tors. theta energy: -80.948
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: 5
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -973.639340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.639340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.639340 (E_RNA)
where:
Base-Base interactions energy: -663.222
where: short stacking energy: -266.618
Base-Backbone interact. energy: -3.075
local terms energy: -307.342614
where:
bonds (distance) C4'-P energy: -50.643
bonds (distance) P-C4' energy: -67.263
flat angles C4'-P-C4' energy: -70.255
flat angles P-C4'-P energy: -50.485
tors. eta vs tors. theta energy: -68.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -887.287271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.287271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.287271 (E_RNA)
where:
Base-Base interactions energy: -589.474
where: short stacking energy: -259.324
Base-Backbone interact. energy: 1.323
local terms energy: -299.136880
where:
bonds (distance) C4'-P energy: -62.676
bonds (distance) P-C4' energy: -58.144
flat angles C4'-P-C4' energy: -72.070
flat angles P-C4'-P energy: -45.958
tors. eta vs tors. theta energy: -60.288
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: 2
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -683.345306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.345306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.345306 (E_RNA)
where:
Base-Base interactions energy: -418.087
where: short stacking energy: -182.636
Base-Backbone interact. energy: -1.783
local terms energy: -263.475045
where:
bonds (distance) C4'-P energy: -59.324
bonds (distance) P-C4' energy: -67.684
flat angles C4'-P-C4' energy: -62.625
flat angles P-C4'-P energy: -41.896
tors. eta vs tors. theta energy: -31.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -662.223731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.223731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.223731 (E_RNA)
where:
Base-Base interactions energy: -416.250
where: short stacking energy: -184.101
Base-Backbone interact. energy: -3.015
local terms energy: -242.959601
where:
bonds (distance) C4'-P energy: -52.229
bonds (distance) P-C4' energy: -65.442
flat angles C4'-P-C4' energy: -54.940
flat angles P-C4'-P energy: -39.010
tors. eta vs tors. theta energy: -31.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -382.295979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.295979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.295979 (E_RNA)
where:
Base-Base interactions energy: -175.559
where: short stacking energy: -106.287
Base-Backbone interact. energy: 1.907
local terms energy: -208.643283
where:
bonds (distance) C4'-P energy: -59.423
bonds (distance) P-C4' energy: -64.830
flat angles C4'-P-C4' energy: -59.070
flat angles P-C4'-P energy: -25.423
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: 6
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -281.778059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.778059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.778059 (E_RNA)
where:
Base-Base interactions energy: -73.917
where: short stacking energy: -59.271
Base-Backbone interact. energy: 0.291
local terms energy: -208.151295
where:
bonds (distance) C4'-P energy: -45.029
bonds (distance) P-C4' energy: -62.420
flat angles C4'-P-C4' energy: -53.142
flat angles P-C4'-P energy: -48.557
tors. eta vs tors. theta energy: 0.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1259.603329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.603329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.603329 (E_RNA)
where:
Base-Base interactions energy: -859.204
where: short stacking energy: -363.623
Base-Backbone interact. energy: -0.175
local terms energy: -400.223792
where:
bonds (distance) C4'-P energy: -80.696
bonds (distance) P-C4' energy: -73.563
flat angles C4'-P-C4' energy: -80.477
flat angles P-C4'-P energy: -53.635
tors. eta vs tors. theta energy: -111.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1232.449945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.449945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.449945 (E_RNA)
where:
Base-Base interactions energy: -831.579
where: short stacking energy: -381.539
Base-Backbone interact. energy: -2.322
local terms energy: -398.548180
where:
bonds (distance) C4'-P energy: -72.536
bonds (distance) P-C4' energy: -70.352
flat angles C4'-P-C4' energy: -82.662
flat angles P-C4'-P energy: -50.883
tors. eta vs tors. theta energy: -122.115
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: 7
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1120.010965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.010965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.010965 (E_RNA)
where:
Base-Base interactions energy: -779.666
where: short stacking energy: -314.176
Base-Backbone interact. energy: -1.996
local terms energy: -338.348669
where:
bonds (distance) C4'-P energy: -68.024
bonds (distance) P-C4' energy: -69.752
flat angles C4'-P-C4' energy: -72.625
flat angles P-C4'-P energy: -50.193
tors. eta vs tors. theta energy: -77.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1091.621600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.621600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.621600 (E_RNA)
where:
Base-Base interactions energy: -738.403
where: short stacking energy: -309.756
Base-Backbone interact. energy: -0.981
local terms energy: -352.238107
where:
bonds (distance) C4'-P energy: -69.278
bonds (distance) P-C4' energy: -67.690
flat angles C4'-P-C4' energy: -78.079
flat angles P-C4'-P energy: -45.130
tors. eta vs tors. theta energy: -92.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -966.631851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.631851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.631851 (E_RNA)
where:
Base-Base interactions energy: -636.751
where: short stacking energy: -260.606
Base-Backbone interact. energy: -3.483
local terms energy: -326.397632
where:
bonds (distance) C4'-P energy: -68.642
bonds (distance) P-C4' energy: -66.542
flat angles C4'-P-C4' energy: -74.953
flat angles P-C4'-P energy: -52.567
tors. eta vs tors. theta energy: -63.694
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: 4
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -866.420921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.420921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.420921 (E_RNA)
where:
Base-Base interactions energy: -579.678
where: short stacking energy: -212.368
Base-Backbone interact. energy: -1.125
local terms energy: -285.618520
where:
bonds (distance) C4'-P energy: -57.640
bonds (distance) P-C4' energy: -65.444
flat angles C4'-P-C4' energy: -67.183
flat angles P-C4'-P energy: -42.326
tors. eta vs tors. theta energy: -53.026
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: 2
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -703.970700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.970700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.970700 (E_RNA)
where:
Base-Base interactions energy: -438.842
where: short stacking energy: -210.503
Base-Backbone interact. energy: 0.918
local terms energy: -266.047489
where:
bonds (distance) C4'-P energy: -55.189
bonds (distance) P-C4' energy: -65.760
flat angles C4'-P-C4' energy: -66.305
flat angles P-C4'-P energy: -42.330
tors. eta vs tors. theta energy: -36.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -654.726232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.726232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.726232 (E_RNA)
where:
Base-Base interactions energy: -379.916
where: short stacking energy: -173.663
Base-Backbone interact. energy: -0.393
local terms energy: -274.416703
where:
bonds (distance) C4'-P energy: -61.130
bonds (distance) P-C4' energy: -73.152
flat angles C4'-P-C4' energy: -68.097
flat angles P-C4'-P energy: -31.662
tors. eta vs tors. theta energy: -40.375
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: 8
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -385.704772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.704772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.704772 (E_RNA)
where:
Base-Base interactions energy: -177.615
where: short stacking energy: -105.451
Base-Backbone interact. energy: -1.363
local terms energy: -206.726755
where:
bonds (distance) C4'-P energy: -59.699
bonds (distance) P-C4' energy: -61.011
flat angles C4'-P-C4' energy: -61.741
flat angles P-C4'-P energy: -15.200
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: 10, replica: 6
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -321.616408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.616408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.616408 (E_RNA)
where:
Base-Base interactions energy: -134.014
where: short stacking energy: -111.570
Base-Backbone interact. energy: 2.480
local terms energy: -190.082710
where:
bonds (distance) C4'-P energy: -45.221
bonds (distance) P-C4' energy: -57.348
flat angles C4'-P-C4' energy: -64.936
flat angles P-C4'-P energy: -35.095
tors. eta vs tors. theta energy: 12.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1255.882304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.882304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.882304 (E_RNA)
where:
Base-Base interactions energy: -846.801
where: short stacking energy: -379.428
Base-Backbone interact. energy: -0.640
local terms energy: -408.441365
where:
bonds (distance) C4'-P energy: -73.338
bonds (distance) P-C4' energy: -80.437
flat angles C4'-P-C4' energy: -81.679
flat angles P-C4'-P energy: -52.084
tors. eta vs tors. theta energy: -120.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1211.499777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.499777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.499777 (E_RNA)
where:
Base-Base interactions energy: -815.015
where: short stacking energy: -344.204
Base-Backbone interact. energy: -0.954
local terms energy: -395.530808
where:
bonds (distance) C4'-P energy: -76.268
bonds (distance) P-C4' energy: -77.002
flat angles C4'-P-C4' energy: -83.083
flat angles P-C4'-P energy: -51.294
tors. eta vs tors. theta energy: -107.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1110.512180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.512180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.512180 (E_RNA)
where:
Base-Base interactions energy: -767.994
where: short stacking energy: -297.514
Base-Backbone interact. energy: -2.532
local terms energy: -339.986243
where:
bonds (distance) C4'-P energy: -56.297
bonds (distance) P-C4' energy: -73.647
flat angles C4'-P-C4' energy: -69.826
flat angles P-C4'-P energy: -64.034
tors. eta vs tors. theta energy: -76.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1090.117038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.117038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.117038 (E_RNA)
where:
Base-Base interactions energy: -729.193
where: short stacking energy: -287.396
Base-Backbone interact. energy: -2.767
local terms energy: -358.157072
where:
bonds (distance) C4'-P energy: -65.019
bonds (distance) P-C4' energy: -83.890
flat angles C4'-P-C4' energy: -65.269
flat angles P-C4'-P energy: -50.112
tors. eta vs tors. theta energy: -93.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -958.935736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.935736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.935736 (E_RNA)
where:
Base-Base interactions energy: -647.038
where: short stacking energy: -279.891
Base-Backbone interact. energy: 1.100
local terms energy: -312.997821
where:
bonds (distance) C4'-P energy: -58.750
bonds (distance) P-C4' energy: -68.427
flat angles C4'-P-C4' energy: -62.282
flat angles P-C4'-P energy: -51.752
tors. eta vs tors. theta energy: -71.788
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: 4
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -828.921862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.921862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.921862 (E_RNA)
where:
Base-Base interactions energy: -536.349
where: short stacking energy: -231.660
Base-Backbone interact. energy: 2.256
local terms energy: -294.828938
where:
bonds (distance) C4'-P energy: -57.852
bonds (distance) P-C4' energy: -63.665
flat angles C4'-P-C4' energy: -74.731
flat angles P-C4'-P energy: -39.774
tors. eta vs tors. theta energy: -58.808
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: 10
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -704.151351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.151351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.151351 (E_RNA)
where:
Base-Base interactions energy: -431.584
where: short stacking energy: -203.999
Base-Backbone interact. energy: 1.049
local terms energy: -273.616584
where:
bonds (distance) C4'-P energy: -65.224
bonds (distance) P-C4' energy: -73.239
flat angles C4'-P-C4' energy: -60.697
flat angles P-C4'-P energy: -41.593
tors. eta vs tors. theta energy: -32.863
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: 2
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -659.733493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.733493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.733493 (E_RNA)
where:
Base-Base interactions energy: -402.232
where: short stacking energy: -175.743
Base-Backbone interact. energy: -0.645
local terms energy: -256.856251
where:
bonds (distance) C4'-P energy: -64.123
bonds (distance) P-C4' energy: -62.461
flat angles C4'-P-C4' energy: -63.219
flat angles P-C4'-P energy: -38.496
tors. eta vs tors. theta energy: -28.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -385.849281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.849281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.849281 (E_RNA)
where:
Base-Base interactions energy: -177.502
where: short stacking energy: -95.978
Base-Backbone interact. energy: -1.064
local terms energy: -207.283443
where:
bonds (distance) C4'-P energy: -65.687
bonds (distance) P-C4' energy: -66.302
flat angles C4'-P-C4' energy: -37.255
flat angles P-C4'-P energy: -38.247
tors. eta vs tors. theta energy: 0.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -361.456951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.456951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.456951 (E_RNA)
where:
Base-Base interactions energy: -170.760
where: short stacking energy: -97.901
Base-Backbone interact. energy: 1.138
local terms energy: -191.834336
where:
bonds (distance) C4'-P energy: -58.768
bonds (distance) P-C4' energy: -71.571
flat angles C4'-P-C4' energy: -39.544
flat angles P-C4'-P energy: -32.841
tors. eta vs tors. theta energy: 10.889
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: 1
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1243.788302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.788302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.788302 (E_RNA)
where:
Base-Base interactions energy: -833.967
where: short stacking energy: -355.481
Base-Backbone interact. energy: -1.446
local terms energy: -408.376058
where:
bonds (distance) C4'-P energy: -75.872
bonds (distance) P-C4' energy: -77.878
flat angles C4'-P-C4' energy: -83.752
flat angles P-C4'-P energy: -57.578
tors. eta vs tors. theta energy: -113.296
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: 2, replica: 9
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1216.573775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.573775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.573775 (E_RNA)
where:
Base-Base interactions energy: -846.138
where: short stacking energy: -351.380
Base-Backbone interact. energy: 0.094
local terms energy: -370.530021
where:
bonds (distance) C4'-P energy: -75.947
bonds (distance) P-C4' energy: -66.052
flat angles C4'-P-C4' energy: -74.607
flat angles P-C4'-P energy: -53.820
tors. eta vs tors. theta energy: -100.104
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: 7
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1095.883013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.883013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.883013 (E_RNA)
where:
Base-Base interactions energy: -740.713
where: short stacking energy: -299.342
Base-Backbone interact. energy: -1.020
local terms energy: -354.150274
where:
bonds (distance) C4'-P energy: -65.201
bonds (distance) P-C4' energy: -79.448
flat angles C4'-P-C4' energy: -66.276
flat angles P-C4'-P energy: -53.363
tors. eta vs tors. theta energy: -89.862
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: 3
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1081.887281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.887281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.887281 (E_RNA)
where:
Base-Base interactions energy: -717.805
where: short stacking energy: -302.836
Base-Backbone interact. energy: -1.824
local terms energy: -362.258237
where:
bonds (distance) C4'-P energy: -72.097
bonds (distance) P-C4' energy: -81.672
flat angles C4'-P-C4' energy: -74.566
flat angles P-C4'-P energy: -39.732
tors. eta vs tors. theta energy: -94.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -950.609971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.609971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.609971 (E_RNA)
where:
Base-Base interactions energy: -618.561
where: short stacking energy: -283.501
Base-Backbone interact. energy: -2.225
local terms energy: -329.824037
where:
bonds (distance) C4'-P energy: -71.656
bonds (distance) P-C4' energy: -64.998
flat angles C4'-P-C4' energy: -70.185
flat angles P-C4'-P energy: -45.130
tors. eta vs tors. theta energy: -77.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -849.741837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.741837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.741837 (E_RNA)
where:
Base-Base interactions energy: -554.178
where: short stacking energy: -239.606
Base-Backbone interact. energy: 0.139
local terms energy: -295.702325
where:
bonds (distance) C4'-P energy: -51.086
bonds (distance) P-C4' energy: -75.644
flat angles C4'-P-C4' energy: -66.081
flat angles P-C4'-P energy: -42.359
tors. eta vs tors. theta energy: -60.533
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: 10
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -702.070001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.070001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.070001 (E_RNA)
where:
Base-Base interactions energy: -454.014
where: short stacking energy: -206.086
Base-Backbone interact. energy: 2.174
local terms energy: -250.229474
where:
bonds (distance) C4'-P energy: -59.868
bonds (distance) P-C4' energy: -55.815
flat angles C4'-P-C4' energy: -60.547
flat angles P-C4'-P energy: -36.324
tors. eta vs tors. theta energy: -37.675
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: 2
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -692.214046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.214046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.214046 (E_RNA)
where:
Base-Base interactions energy: -426.772
where: short stacking energy: -180.798
Base-Backbone interact. energy: -0.264
local terms energy: -265.178026
where:
bonds (distance) C4'-P energy: -52.723
bonds (distance) P-C4' energy: -69.264
flat angles C4'-P-C4' energy: -72.154
flat angles P-C4'-P energy: -40.446
tors. eta vs tors. theta energy: -30.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -375.273510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.273510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.273510 (E_RNA)
where:
Base-Base interactions energy: -178.470
where: short stacking energy: -82.819
Base-Backbone interact. energy: 3.028
local terms energy: -199.831285
where:
bonds (distance) C4'-P energy: -62.571
bonds (distance) P-C4' energy: -58.495
flat angles C4'-P-C4' energy: -46.209
flat angles P-C4'-P energy: -42.332
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: 10, replica: 8
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -379.275142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.275142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.275142 (E_RNA)
where:
Base-Base interactions energy: -171.386
where: short stacking energy: -119.396
Base-Backbone interact. energy: -1.284
local terms energy: -206.605760
where:
bonds (distance) C4'-P energy: -62.384
bonds (distance) P-C4' energy: -61.087
flat angles C4'-P-C4' energy: -58.471
flat angles P-C4'-P energy: -20.800
tors. eta vs tors. theta energy: -3.864
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: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1247.735816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.735816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.735816 (E_RNA)
where:
Base-Base interactions energy: -835.494
where: short stacking energy: -388.497
Base-Backbone interact. energy: -2.348
local terms energy: -409.894629
where:
bonds (distance) C4'-P energy: -69.819
bonds (distance) P-C4' energy: -72.954
flat angles C4'-P-C4' energy: -82.597
flat angles P-C4'-P energy: -66.845
tors. eta vs tors. theta energy: -117.680
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: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1242.825942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.825942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.825942 (E_RNA)
where:
Base-Base interactions energy: -838.505
where: short stacking energy: -354.226
Base-Backbone interact. energy: -0.527
local terms energy: -403.793785
where:
bonds (distance) C4'-P energy: -82.927
bonds (distance) P-C4' energy: -74.346
flat angles C4'-P-C4' energy: -82.996
flat angles P-C4'-P energy: -43.246
tors. eta vs tors. theta energy: -120.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1144.507337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.507337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.507337 (E_RNA)
where:
Base-Base interactions energy: -762.271
where: short stacking energy: -304.909
Base-Backbone interact. energy: -0.813
local terms energy: -381.423252
where:
bonds (distance) C4'-P energy: -68.613
bonds (distance) P-C4' energy: -74.698
flat angles C4'-P-C4' energy: -78.772
flat angles P-C4'-P energy: -63.709
tors. eta vs tors. theta energy: -95.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1106.203688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.203688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.203688 (E_RNA)
where:
Base-Base interactions energy: -766.614
where: short stacking energy: -334.555
Base-Backbone interact. energy: 1.344
local terms energy: -340.933695
where:
bonds (distance) C4'-P energy: -51.771
bonds (distance) P-C4' energy: -70.590
flat angles C4'-P-C4' energy: -68.783
flat angles P-C4'-P energy: -47.654
tors. eta vs tors. theta energy: -102.135
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: 5
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -981.549212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.549212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.549212 (E_RNA)
where:
Base-Base interactions energy: -668.302
where: short stacking energy: -270.032
Base-Backbone interact. energy: 0.483
local terms energy: -313.731097
where:
bonds (distance) C4'-P energy: -59.483
bonds (distance) P-C4' energy: -59.266
flat angles C4'-P-C4' energy: -69.802
flat angles P-C4'-P energy: -48.515
tors. eta vs tors. theta energy: -76.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -863.220276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.220276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.220276 (E_RNA)
where:
Base-Base interactions energy: -551.062
where: short stacking energy: -241.051
Base-Backbone interact. energy: -0.922
local terms energy: -311.236172
where:
bonds (distance) C4'-P energy: -68.457
bonds (distance) P-C4' energy: -66.573
flat angles C4'-P-C4' energy: -68.633
flat angles P-C4'-P energy: -45.124
tors. eta vs tors. theta energy: -62.449
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: 2
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -732.338303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.338303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.338303 (E_RNA)
where:
Base-Base interactions energy: -467.945
where: short stacking energy: -212.648
Base-Backbone interact. energy: -0.876
local terms energy: -263.516930
where:
bonds (distance) C4'-P energy: -62.013
bonds (distance) P-C4' energy: -64.417
flat angles C4'-P-C4' energy: -55.168
flat angles P-C4'-P energy: -48.823
tors. eta vs tors. theta energy: -33.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -630.736928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.736928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.736928 (E_RNA)
where:
Base-Base interactions energy: -380.521
where: short stacking energy: -183.656
Base-Backbone interact. energy: -0.696
local terms energy: -249.520065
where:
bonds (distance) C4'-P energy: -65.136
bonds (distance) P-C4' energy: -58.171
flat angles C4'-P-C4' energy: -54.132
flat angles P-C4'-P energy: -44.486
tors. eta vs tors. theta energy: -27.596
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: 9, replica: 8
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -402.769926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.769926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.769926 (E_RNA)
where:
Base-Base interactions energy: -189.896
where: short stacking energy: -113.243
Base-Backbone interact. energy: 1.249
local terms energy: -214.123106
where:
bonds (distance) C4'-P energy: -61.711
bonds (distance) P-C4' energy: -64.202
flat angles C4'-P-C4' energy: -56.889
flat angles P-C4'-P energy: -23.999
tors. eta vs tors. theta energy: -7.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -300.949234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.949234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.949234 (E_RNA)
where:
Base-Base interactions energy: -92.825
where: short stacking energy: -93.613
Base-Backbone interact. energy: -1.475
local terms energy: -206.648413
where:
bonds (distance) C4'-P energy: -48.593
bonds (distance) P-C4' energy: -65.021
flat angles C4'-P-C4' energy: -65.112
flat angles P-C4'-P energy: -29.735
tors. eta vs tors. theta energy: 1.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1238.210310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.210310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.210310 (E_RNA)
where:
Base-Base interactions energy: -838.177
where: short stacking energy: -363.724
Base-Backbone interact. energy: 0.740
local terms energy: -400.773597
where:
bonds (distance) C4'-P energy: -70.890
bonds (distance) P-C4' energy: -72.922
flat angles C4'-P-C4' energy: -80.883
flat angles P-C4'-P energy: -57.671
tors. eta vs tors. theta energy: -118.407
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: 183
Temperature: 0.950000
Total energy: -1227.510754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.510754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.510754 (E_RNA)
where:
Base-Base interactions energy: -848.607
where: short stacking energy: -363.552
Base-Backbone interact. energy: -1.753
local terms energy: -377.151147
where:
bonds (distance) C4'-P energy: -65.249
bonds (distance) P-C4' energy: -81.525
flat angles C4'-P-C4' energy: -78.381
flat angles P-C4'-P energy: -51.406
tors. eta vs tors. theta energy: -100.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -1133.912901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.912901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.912901 (E_RNA)
where:
Base-Base interactions energy: -772.451
where: short stacking energy: -323.674
Base-Backbone interact. energy: -0.679
local terms energy: -360.783350
where:
bonds (distance) C4'-P energy: -65.124
bonds (distance) P-C4' energy: -69.407
flat angles C4'-P-C4' energy: -81.449
flat angles P-C4'-P energy: -51.931
tors. eta vs tors. theta energy: -92.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1098.553088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.553088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.553088 (E_RNA)
where:
Base-Base interactions energy: -726.192
where: short stacking energy: -287.942
Base-Backbone interact. energy: -3.282
local terms energy: -369.078964
where:
bonds (distance) C4'-P energy: -69.030
bonds (distance) P-C4' energy: -72.254
flat angles C4'-P-C4' energy: -78.097
flat angles P-C4'-P energy: -60.971
tors. eta vs tors. theta energy: -88.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -981.500122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.500122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.500122 (E_RNA)
where:
Base-Base interactions energy: -657.622
where: short stacking energy: -253.901
Base-Backbone interact. energy: -4.328
local terms energy: -319.549874
where:
bonds (distance) C4'-P energy: -68.155
bonds (distance) P-C4' energy: -66.916
flat angles C4'-P-C4' energy: -72.241
flat angles P-C4'-P energy: -44.210
tors. eta vs tors. theta energy: -68.028
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: 6, replica: 4
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -845.628820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.628820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.628820 (E_RNA)
where:
Base-Base interactions energy: -535.806
where: short stacking energy: -220.992
Base-Backbone interact. energy: 1.836
local terms energy: -311.658939
where:
bonds (distance) C4'-P energy: -62.013
bonds (distance) P-C4' energy: -59.444
flat angles C4'-P-C4' energy: -68.089
flat angles P-C4'-P energy: -55.100
tors. eta vs tors. theta energy: -67.012
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: 2
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -704.906040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.906040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.906040 (E_RNA)
where:
Base-Base interactions energy: -428.076
where: short stacking energy: -184.119
Base-Backbone interact. energy: -2.219
local terms energy: -274.610946
where:
bonds (distance) C4'-P energy: -73.461
bonds (distance) P-C4' energy: -65.907
flat angles C4'-P-C4' energy: -70.554
flat angles P-C4'-P energy: -39.323
tors. eta vs tors. theta energy: -25.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -642.460207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.460207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.460207 (E_RNA)
where:
Base-Base interactions energy: -406.186
where: short stacking energy: -182.541
Base-Backbone interact. energy: -1.162
local terms energy: -235.112522
where:
bonds (distance) C4'-P energy: -68.342
bonds (distance) P-C4' energy: -50.956
flat angles C4'-P-C4' energy: -56.445
flat angles P-C4'-P energy: -30.959
tors. eta vs tors. theta energy: -28.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -399.799094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.799094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.799094 (E_RNA)
where:
Base-Base interactions energy: -178.199
where: short stacking energy: -101.399
Base-Backbone interact. energy: 3.144
local terms energy: -224.743856
where:
bonds (distance) C4'-P energy: -57.782
bonds (distance) P-C4' energy: -54.612
flat angles C4'-P-C4' energy: -70.364
flat angles P-C4'-P energy: -44.692
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: 10, replica: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -296.028213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.028213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.028213 (E_RNA)
where:
Base-Base interactions energy: -113.434
where: short stacking energy: -94.285
Base-Backbone interact. energy: 1.660
local terms energy: -184.253924
where:
bonds (distance) C4'-P energy: -61.641
bonds (distance) P-C4' energy: -55.123
flat angles C4'-P-C4' energy: -36.587
flat angles P-C4'-P energy: -38.295
tors. eta vs tors. theta energy: 7.392
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: 1, replica: 9
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1223.456127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.456127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.456127 (E_RNA)
where:
Base-Base interactions energy: -815.989
where: short stacking energy: -341.142
Base-Backbone interact. energy: -0.706
local terms energy: -406.760266
where:
bonds (distance) C4'-P energy: -65.507
bonds (distance) P-C4' energy: -75.183
flat angles C4'-P-C4' energy: -86.550
flat angles P-C4'-P energy: -62.318
tors. eta vs tors. theta energy: -117.202
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: 1
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1227.658007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.658007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.658007 (E_RNA)
where:
Base-Base interactions energy: -839.560
where: short stacking energy: -381.729
Base-Backbone interact. energy: 0.747
local terms energy: -388.845220
where:
bonds (distance) C4'-P energy: -69.108
bonds (distance) P-C4' energy: -68.681
flat angles C4'-P-C4' energy: -78.290
flat angles P-C4'-P energy: -55.233
tors. eta vs tors. theta energy: -117.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1135.545836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.545836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.545836 (E_RNA)
where:
Base-Base interactions energy: -771.138
where: short stacking energy: -330.096
Base-Backbone interact. energy: -0.520
local terms energy: -363.887735
where:
bonds (distance) C4'-P energy: -54.253
bonds (distance) P-C4' energy: -77.016
flat angles C4'-P-C4' energy: -81.280
flat angles P-C4'-P energy: -56.069
tors. eta vs tors. theta energy: -95.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1112.970211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.970211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.970211 (E_RNA)
where:
Base-Base interactions energy: -754.461
where: short stacking energy: -310.521
Base-Backbone interact. energy: -1.538
local terms energy: -356.971396
where:
bonds (distance) C4'-P energy: -77.693
bonds (distance) P-C4' energy: -72.535
flat angles C4'-P-C4' energy: -83.439
flat angles P-C4'-P energy: -40.291
tors. eta vs tors. theta energy: -83.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -965.046527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.046527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.046527 (E_RNA)
where:
Base-Base interactions energy: -666.198
where: short stacking energy: -297.779
Base-Backbone interact. energy: -1.749
local terms energy: -297.099272
where:
bonds (distance) C4'-P energy: -59.070
bonds (distance) P-C4' energy: -54.468
flat angles C4'-P-C4' energy: -77.768
flat angles P-C4'-P energy: -32.893
tors. eta vs tors. theta energy: -72.901
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: 4
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -858.121188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.121188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.121188 (E_RNA)
where:
Base-Base interactions energy: -537.448
where: short stacking energy: -267.310
Base-Backbone interact. energy: -0.332
local terms energy: -320.341743
where:
bonds (distance) C4'-P energy: -59.318
bonds (distance) P-C4' energy: -70.559
flat angles C4'-P-C4' energy: -74.905
flat angles P-C4'-P energy: -44.590
tors. eta vs tors. theta energy: -70.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -735.546654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.546654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.546654 (E_RNA)
where:
Base-Base interactions energy: -467.528
where: short stacking energy: -234.012
Base-Backbone interact. energy: -1.082
local terms energy: -266.936236
where:
bonds (distance) C4'-P energy: -61.348
bonds (distance) P-C4' energy: -58.644
flat angles C4'-P-C4' energy: -56.173
flat angles P-C4'-P energy: -36.536
tors. eta vs tors. theta energy: -54.235
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: 184
Temperature: 1.250000
Total energy: -660.139034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.139034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.139034 (E_RNA)
where:
Base-Base interactions energy: -399.190
where: short stacking energy: -181.627
Base-Backbone interact. energy: -1.321
local terms energy: -259.627812
where:
bonds (distance) C4'-P energy: -70.627
bonds (distance) P-C4' energy: -47.068
flat angles C4'-P-C4' energy: -61.286
flat angles P-C4'-P energy: -41.011
tors. eta vs tors. theta energy: -39.636
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: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -329.989758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.989758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.989758 (E_RNA)
where:
Base-Base interactions energy: -107.318
where: short stacking energy: -81.742
Base-Backbone interact. energy: -0.738
local terms energy: -221.934044
where:
bonds (distance) C4'-P energy: -72.348
bonds (distance) P-C4' energy: -62.166
flat angles C4'-P-C4' energy: -56.808
flat angles P-C4'-P energy: -33.606
tors. eta vs tors. theta energy: 2.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -387.060538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.060538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.060538 (E_RNA)
where:
Base-Base interactions energy: -173.730
where: short stacking energy: -99.178
Base-Backbone interact. energy: 0.072
local terms energy: -213.402969
where:
bonds (distance) C4'-P energy: -64.721
bonds (distance) P-C4' energy: -62.293
flat angles C4'-P-C4' energy: -62.386
flat angles P-C4'-P energy: -23.349
tors. eta vs tors. theta energy: -0.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1249.317408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.317408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.317408 (E_RNA)
where:
Base-Base interactions energy: -853.192
where: short stacking energy: -370.617
Base-Backbone interact. energy: -1.026
local terms energy: -395.099160
where:
bonds (distance) C4'-P energy: -70.964
bonds (distance) P-C4' energy: -74.689
flat angles C4'-P-C4' energy: -82.642
flat angles P-C4'-P energy: -53.818
tors. eta vs tors. theta energy: -112.987
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: 2, replica: 1
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1220.627696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.627696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.627696 (E_RNA)
where:
Base-Base interactions energy: -831.332
where: short stacking energy: -336.138
Base-Backbone interact. energy: -2.560
local terms energy: -386.735710
where:
bonds (distance) C4'-P energy: -64.783
bonds (distance) P-C4' energy: -77.540
flat angles C4'-P-C4' energy: -76.269
flat angles P-C4'-P energy: -57.024
tors. eta vs tors. theta energy: -111.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1122.094307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.094307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.094307 (E_RNA)
where:
Base-Base interactions energy: -764.476
where: short stacking energy: -328.004
Base-Backbone interact. energy: -1.280
local terms energy: -356.338950
where:
bonds (distance) C4'-P energy: -71.467
bonds (distance) P-C4' energy: -58.602
flat angles C4'-P-C4' energy: -75.121
flat angles P-C4'-P energy: -55.494
tors. eta vs tors. theta energy: -95.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1063.373431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.373431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.373431 (E_RNA)
where:
Base-Base interactions energy: -720.617
where: short stacking energy: -287.986
Base-Backbone interact. energy: -1.272
local terms energy: -341.484459
where:
bonds (distance) C4'-P energy: -68.625
bonds (distance) P-C4' energy: -73.179
flat angles C4'-P-C4' energy: -71.929
flat angles P-C4'-P energy: -48.030
tors. eta vs tors. theta energy: -79.721
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: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -988.448219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.448219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.448219 (E_RNA)
where:
Base-Base interactions energy: -676.152
where: short stacking energy: -292.177
Base-Backbone interact. energy: -3.348
local terms energy: -308.948465
where:
bonds (distance) C4'-P energy: -70.276
bonds (distance) P-C4' energy: -58.936
flat angles C4'-P-C4' energy: -73.031
flat angles P-C4'-P energy: -38.592
tors. eta vs tors. theta energy: -68.114
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: 4
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -820.451500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.451500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.451500 (E_RNA)
where:
Base-Base interactions energy: -517.760
where: short stacking energy: -218.178
Base-Backbone interact. energy: -1.432
local terms energy: -301.259456
where:
bonds (distance) C4'-P energy: -64.891
bonds (distance) P-C4' energy: -60.691
flat angles C4'-P-C4' energy: -71.710
flat angles P-C4'-P energy: -53.019
tors. eta vs tors. theta energy: -50.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -820.119908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.119908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.119908 (E_RNA)
where:
Base-Base interactions energy: -518.126
where: short stacking energy: -248.746
Base-Backbone interact. energy: 1.082
local terms energy: -303.076525
where:
bonds (distance) C4'-P energy: -66.303
bonds (distance) P-C4' energy: -61.751
flat angles C4'-P-C4' energy: -60.860
flat angles P-C4'-P energy: -47.577
tors. eta vs tors. theta energy: -66.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -652.063762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.063762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.063762 (E_RNA)
where:
Base-Base interactions energy: -384.905
where: short stacking energy: -180.747
Base-Backbone interact. energy: 2.417
local terms energy: -269.575998
where:
bonds (distance) C4'-P energy: -63.999
bonds (distance) P-C4' energy: -55.373
flat angles C4'-P-C4' energy: -63.890
flat angles P-C4'-P energy: -43.445
tors. eta vs tors. theta energy: -42.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -326.329649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.329649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.329649 (E_RNA)
where:
Base-Base interactions energy: -116.903
where: short stacking energy: -108.184
Base-Backbone interact. energy: -1.659
local terms energy: -207.768203
where:
bonds (distance) C4'-P energy: -72.642
bonds (distance) P-C4' energy: -64.947
flat angles C4'-P-C4' energy: -49.246
flat angles P-C4'-P energy: -22.760
tors. eta vs tors. theta energy: 1.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -352.172110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.172110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.172110 (E_RNA)
where:
Base-Base interactions energy: -137.103
where: short stacking energy: -76.678
Base-Backbone interact. energy: -2.556
local terms energy: -212.513335
where:
bonds (distance) C4'-P energy: -56.187
bonds (distance) P-C4' energy: -72.467
flat angles C4'-P-C4' energy: -52.648
flat angles P-C4'-P energy: -25.197
tors. eta vs tors. theta energy: -6.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1258.003076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.003076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.003076 (E_RNA)
where:
Base-Base interactions energy: -843.028
where: short stacking energy: -361.936
Base-Backbone interact. energy: 0.954
local terms energy: -415.929109
where:
bonds (distance) C4'-P energy: -75.104
bonds (distance) P-C4' energy: -78.057
flat angles C4'-P-C4' energy: -87.416
flat angles P-C4'-P energy: -61.769
tors. eta vs tors. theta energy: -113.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1190.148410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.148410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.148410 (E_RNA)
where:
Base-Base interactions energy: -818.538
where: short stacking energy: -345.753
Base-Backbone interact. energy: -1.788
local terms energy: -369.822243
where:
bonds (distance) C4'-P energy: -65.879
bonds (distance) P-C4' energy: -71.141
flat angles C4'-P-C4' energy: -73.019
flat angles P-C4'-P energy: -52.522
tors. eta vs tors. theta energy: -107.261
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: 7
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1113.743438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.743438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.743438 (E_RNA)
where:
Base-Base interactions energy: -765.647
where: short stacking energy: -322.023
Base-Backbone interact. energy: -0.742
local terms energy: -347.353637
where:
bonds (distance) C4'-P energy: -59.174
bonds (distance) P-C4' energy: -69.258
flat angles C4'-P-C4' energy: -79.452
flat angles P-C4'-P energy: -50.405
tors. eta vs tors. theta energy: -89.064
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: 3
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -1105.921773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.921773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.921773 (E_RNA)
where:
Base-Base interactions energy: -754.295
where: short stacking energy: -315.250
Base-Backbone interact. energy: -0.767
local terms energy: -350.859415
where:
bonds (distance) C4'-P energy: -61.569
bonds (distance) P-C4' energy: -61.335
flat angles C4'-P-C4' energy: -79.666
flat angles P-C4'-P energy: -52.887
tors. eta vs tors. theta energy: -95.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -973.897330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.897330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.897330 (E_RNA)
where:
Base-Base interactions energy: -634.449
where: short stacking energy: -288.260
Base-Backbone interact. energy: 1.821
local terms energy: -341.269002
where:
bonds (distance) C4'-P energy: -63.206
bonds (distance) P-C4' energy: -70.441
flat angles C4'-P-C4' energy: -79.674
flat angles P-C4'-P energy: -52.079
tors. eta vs tors. theta energy: -75.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -841.693899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.693899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.693899 (E_RNA)
where:
Base-Base interactions energy: -527.698
where: short stacking energy: -229.587
Base-Backbone interact. energy: -1.885
local terms energy: -312.110515
where:
bonds (distance) C4'-P energy: -76.161
bonds (distance) P-C4' energy: -75.903
flat angles C4'-P-C4' energy: -67.976
flat angles P-C4'-P energy: -36.143
tors. eta vs tors. theta energy: -55.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -806.259108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.259108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.259108 (E_RNA)
where:
Base-Base interactions energy: -535.574
where: short stacking energy: -236.364
Base-Backbone interact. energy: -0.578
local terms energy: -270.107534
where:
bonds (distance) C4'-P energy: -57.925
bonds (distance) P-C4' energy: -64.782
flat angles C4'-P-C4' energy: -59.832
flat angles P-C4'-P energy: -33.102
tors. eta vs tors. theta energy: -54.466
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: 8, replica: 10
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -621.222703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.222703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.222703 (E_RNA)
where:
Base-Base interactions energy: -378.194
where: short stacking energy: -170.296
Base-Backbone interact. energy: -0.932
local terms energy: -242.096494
where:
bonds (distance) C4'-P energy: -62.933
bonds (distance) P-C4' energy: -57.388
flat angles C4'-P-C4' energy: -55.975
flat angles P-C4'-P energy: -41.110
tors. eta vs tors. theta energy: -24.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -366.245030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.245030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.245030 (E_RNA)
where:
Base-Base interactions energy: -163.650
where: short stacking energy: -109.509
Base-Backbone interact. energy: -0.389
local terms energy: -202.206418
where:
bonds (distance) C4'-P energy: -54.751
bonds (distance) P-C4' energy: -57.228
flat angles C4'-P-C4' energy: -56.780
flat angles P-C4'-P energy: -42.670
tors. eta vs tors. theta energy: 9.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -290.283272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.283272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.283272 (E_RNA)
where:
Base-Base interactions energy: -107.671
where: short stacking energy: -91.768
Base-Backbone interact. energy: 1.242
local terms energy: -183.854213
where:
bonds (distance) C4'-P energy: -55.825
bonds (distance) P-C4' energy: -63.175
flat angles C4'-P-C4' energy: -40.376
flat angles P-C4'-P energy: -39.780
tors. eta vs tors. theta energy: 15.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1262.734136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.734136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.734136 (E_RNA)
where:
Base-Base interactions energy: -857.079
where: short stacking energy: -383.381
Base-Backbone interact. energy: -0.840
local terms energy: -404.814931
where:
bonds (distance) C4'-P energy: -70.638
bonds (distance) P-C4' energy: -82.766
flat angles C4'-P-C4' energy: -89.760
flat angles P-C4'-P energy: -48.591
tors. eta vs tors. theta energy: -113.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1238.704960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.704960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.704960 (E_RNA)
where:
Base-Base interactions energy: -840.420
where: short stacking energy: -351.541
Base-Backbone interact. energy: -2.567
local terms energy: -395.717436
where:
bonds (distance) C4'-P energy: -71.053
bonds (distance) P-C4' energy: -75.832
flat angles C4'-P-C4' energy: -87.958
flat angles P-C4'-P energy: -49.939
tors. eta vs tors. theta energy: -110.935
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: 7
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1123.585059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.585059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.585059 (E_RNA)
where:
Base-Base interactions energy: -767.393
where: short stacking energy: -326.621
Base-Backbone interact. energy: -1.702
local terms energy: -354.490669
where:
bonds (distance) C4'-P energy: -67.281
bonds (distance) P-C4' energy: -73.582
flat angles C4'-P-C4' energy: -78.756
flat angles P-C4'-P energy: -45.385
tors. eta vs tors. theta energy: -89.486
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: 3
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1134.274629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.274629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.274629 (E_RNA)
where:
Base-Base interactions energy: -758.261
where: short stacking energy: -333.820
Base-Backbone interact. energy: -2.374
local terms energy: -373.640033
where:
bonds (distance) C4'-P energy: -64.974
bonds (distance) P-C4' energy: -68.566
flat angles C4'-P-C4' energy: -72.754
flat angles P-C4'-P energy: -57.326
tors. eta vs tors. theta energy: -110.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -960.153877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.153877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.153877 (E_RNA)
where:
Base-Base interactions energy: -631.408
where: short stacking energy: -273.148
Base-Backbone interact. energy: -2.827
local terms energy: -325.918828
where:
bonds (distance) C4'-P energy: -66.473
bonds (distance) P-C4' energy: -69.689
flat angles C4'-P-C4' energy: -76.010
flat angles P-C4'-P energy: -44.810
tors. eta vs tors. theta energy: -68.937
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: 2
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -859.950404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.950404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.950404 (E_RNA)
where:
Base-Base interactions energy: -554.306
where: short stacking energy: -232.467
Base-Backbone interact. energy: -1.893
local terms energy: -303.751809
where:
bonds (distance) C4'-P energy: -67.734
bonds (distance) P-C4' energy: -66.239
flat angles C4'-P-C4' energy: -65.017
flat angles P-C4'-P energy: -42.268
tors. eta vs tors. theta energy: -62.494
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: 7, replica: 4
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -814.618270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.618270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.618270 (E_RNA)
where:
Base-Base interactions energy: -534.572
where: short stacking energy: -230.795
Base-Backbone interact. energy: -2.227
local terms energy: -277.819437
where:
bonds (distance) C4'-P energy: -59.291
bonds (distance) P-C4' energy: -56.006
flat angles C4'-P-C4' energy: -60.365
flat angles P-C4'-P energy: -46.676
tors. eta vs tors. theta energy: -55.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -646.759721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.759721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.759721 (E_RNA)
where:
Base-Base interactions energy: -374.050
where: short stacking energy: -177.701
Base-Backbone interact. energy: -1.505
local terms energy: -271.205019
where:
bonds (distance) C4'-P energy: -65.154
bonds (distance) P-C4' energy: -68.458
flat angles C4'-P-C4' energy: -63.194
flat angles P-C4'-P energy: -43.998
tors. eta vs tors. theta energy: -30.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -398.669285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.669285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.669285 (E_RNA)
where:
Base-Base interactions energy: -189.396
where: short stacking energy: -123.508
Base-Backbone interact. energy: -1.208
local terms energy: -208.064569
where:
bonds (distance) C4'-P energy: -50.101
bonds (distance) P-C4' energy: -57.360
flat angles C4'-P-C4' energy: -54.128
flat angles P-C4'-P energy: -37.872
tors. eta vs tors. theta energy: -8.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -300.521201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.521201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.521201 (E_RNA)
where:
Base-Base interactions energy: -117.095
where: short stacking energy: -80.346
Base-Backbone interact. energy: -0.020
local terms energy: -183.406570
where:
bonds (distance) C4'-P energy: -53.379
bonds (distance) P-C4' energy: -68.645
flat angles C4'-P-C4' energy: -48.518
flat angles P-C4'-P energy: -24.836
tors. eta vs tors. theta energy: 11.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1266.601822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.601822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.601822 (E_RNA)
where:
Base-Base interactions energy: -853.833
where: short stacking energy: -374.907
Base-Backbone interact. energy: 0.807
local terms energy: -413.575103
where:
bonds (distance) C4'-P energy: -86.032
bonds (distance) P-C4' energy: -81.098
flat angles C4'-P-C4' energy: -78.233
flat angles P-C4'-P energy: -52.440
tors. eta vs tors. theta energy: -115.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1248.753218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.753218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.753218 (E_RNA)
where:
Base-Base interactions energy: -851.640
where: short stacking energy: -366.201
Base-Backbone interact. energy: -5.713
local terms energy: -391.401092
where:
bonds (distance) C4'-P energy: -61.404
bonds (distance) P-C4' energy: -74.803
flat angles C4'-P-C4' energy: -91.467
flat angles P-C4'-P energy: -51.027
tors. eta vs tors. theta energy: -112.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1149.301798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.301798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.301798 (E_RNA)
where:
Base-Base interactions energy: -791.317
where: short stacking energy: -358.259
Base-Backbone interact. energy: -1.062
local terms energy: -356.922377
where:
bonds (distance) C4'-P energy: -63.441
bonds (distance) P-C4' energy: -71.300
flat angles C4'-P-C4' energy: -70.366
flat angles P-C4'-P energy: -49.063
tors. eta vs tors. theta energy: -102.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -1096.456283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.456283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.456283 (E_RNA)
where:
Base-Base interactions energy: -742.854
where: short stacking energy: -311.149
Base-Backbone interact. energy: 2.716
local terms energy: -356.318504
where:
bonds (distance) C4'-P energy: -60.954
bonds (distance) P-C4' energy: -74.216
flat angles C4'-P-C4' energy: -77.638
flat angles P-C4'-P energy: -55.309
tors. eta vs tors. theta energy: -88.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -951.945200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.945200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.945200 (E_RNA)
where:
Base-Base interactions energy: -637.839
where: short stacking energy: -262.901
Base-Backbone interact. energy: -1.751
local terms energy: -312.355471
where:
bonds (distance) C4'-P energy: -70.340
bonds (distance) P-C4' energy: -60.100
flat angles C4'-P-C4' energy: -74.023
flat angles P-C4'-P energy: -46.895
tors. eta vs tors. theta energy: -60.997
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: 2
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -889.508810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.508810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.508810 (E_RNA)
where:
Base-Base interactions energy: -574.542
where: short stacking energy: -249.316
Base-Backbone interact. energy: 1.934
local terms energy: -316.900967
where:
bonds (distance) C4'-P energy: -65.385
bonds (distance) P-C4' energy: -69.811
flat angles C4'-P-C4' energy: -73.320
flat angles P-C4'-P energy: -47.572
tors. eta vs tors. theta energy: -60.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -825.053940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.053940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.053940 (E_RNA)
where:
Base-Base interactions energy: -517.766
where: short stacking energy: -218.823
Base-Backbone interact. energy: -1.669
local terms energy: -305.619540
where:
bonds (distance) C4'-P energy: -64.354
bonds (distance) P-C4' energy: -72.402
flat angles C4'-P-C4' energy: -74.727
flat angles P-C4'-P energy: -35.223
tors. eta vs tors. theta energy: -58.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -630.193068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.193068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.193068 (E_RNA)
where:
Base-Base interactions energy: -352.648
where: short stacking energy: -182.589
Base-Backbone interact. energy: 4.651
local terms energy: -282.195525
where:
bonds (distance) C4'-P energy: -66.028
bonds (distance) P-C4' energy: -72.925
flat angles C4'-P-C4' energy: -68.381
flat angles P-C4'-P energy: -40.961
tors. eta vs tors. theta energy: -33.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -388.005034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.005034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.005034 (E_RNA)
where:
Base-Base interactions energy: -178.416
where: short stacking energy: -101.375
Base-Backbone interact. energy: -1.857
local terms energy: -207.731735
where:
bonds (distance) C4'-P energy: -56.961
bonds (distance) P-C4' energy: -63.591
flat angles C4'-P-C4' energy: -66.526
flat angles P-C4'-P energy: -22.024
tors. eta vs tors. theta energy: 1.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -292.583909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.583909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.583909 (E_RNA)
where:
Base-Base interactions energy: -136.256
where: short stacking energy: -72.967
Base-Backbone interact. energy: -2.114
local terms energy: -154.213352
where:
bonds (distance) C4'-P energy: -48.572
bonds (distance) P-C4' energy: -62.452
flat angles C4'-P-C4' energy: -40.672
flat angles P-C4'-P energy: -26.152
tors. eta vs tors. theta energy: 23.634
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: 1, replica: 9
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1289.769284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.769284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.769284 (E_RNA)
where:
Base-Base interactions energy: -885.195
where: short stacking energy: -376.633
Base-Backbone interact. energy: -0.187
local terms energy: -404.387517
where:
bonds (distance) C4'-P energy: -73.537
bonds (distance) P-C4' energy: -81.756
flat angles C4'-P-C4' energy: -74.507
flat angles P-C4'-P energy: -56.926
tors. eta vs tors. theta energy: -117.661
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: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1218.319166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.319166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.319166 (E_RNA)
where:
Base-Base interactions energy: -835.043
where: short stacking energy: -360.630
Base-Backbone interact. energy: -1.723
local terms energy: -381.552944
where:
bonds (distance) C4'-P energy: -74.631
bonds (distance) P-C4' energy: -70.477
flat angles C4'-P-C4' energy: -71.930
flat angles P-C4'-P energy: -47.421
tors. eta vs tors. theta energy: -117.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1137.671055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.671055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.671055 (E_RNA)
where:
Base-Base interactions energy: -749.720
where: short stacking energy: -326.819
Base-Backbone interact. energy: -0.623
local terms energy: -387.327312
where:
bonds (distance) C4'-P energy: -70.366
bonds (distance) P-C4' energy: -69.851
flat angles C4'-P-C4' energy: -81.929
flat angles P-C4'-P energy: -58.282
tors. eta vs tors. theta energy: -106.899
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: 7
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1110.307094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.307094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.307094 (E_RNA)
where:
Base-Base interactions energy: -753.921
where: short stacking energy: -303.375
Base-Backbone interact. energy: 0.901
local terms energy: -357.287003
where:
bonds (distance) C4'-P energy: -73.388
bonds (distance) P-C4' energy: -67.799
flat angles C4'-P-C4' energy: -77.376
flat angles P-C4'-P energy: -53.919
tors. eta vs tors. theta energy: -84.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -975.005021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.005021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.005021 (E_RNA)
where:
Base-Base interactions energy: -658.266
where: short stacking energy: -270.708
Base-Backbone interact. energy: -1.701
local terms energy: -315.037912
where:
bonds (distance) C4'-P energy: -63.365
bonds (distance) P-C4' energy: -70.613
flat angles C4'-P-C4' energy: -67.284
flat angles P-C4'-P energy: -42.788
tors. eta vs tors. theta energy: -70.987
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: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -903.735060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.735060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.735060 (E_RNA)
where:
Base-Base interactions energy: -589.277
where: short stacking energy: -259.463
Base-Backbone interact. energy: -0.098
local terms energy: -314.359877
where:
bonds (distance) C4'-P energy: -62.030
bonds (distance) P-C4' energy: -70.208
flat angles C4'-P-C4' energy: -68.927
flat angles P-C4'-P energy: -46.302
tors. eta vs tors. theta energy: -66.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -824.237569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.237569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.237569 (E_RNA)
where:
Base-Base interactions energy: -530.638
where: short stacking energy: -230.102
Base-Backbone interact. energy: 1.101
local terms energy: -294.699924
where:
bonds (distance) C4'-P energy: -68.559
bonds (distance) P-C4' energy: -68.835
flat angles C4'-P-C4' energy: -66.392
flat angles P-C4'-P energy: -32.746
tors. eta vs tors. theta energy: -58.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -640.346882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.346882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.346882 (E_RNA)
where:
Base-Base interactions energy: -368.230
where: short stacking energy: -177.150
Base-Backbone interact. energy: 0.991
local terms energy: -273.107113
where:
bonds (distance) C4'-P energy: -59.876
bonds (distance) P-C4' energy: -72.615
flat angles C4'-P-C4' energy: -72.473
flat angles P-C4'-P energy: -38.994
tors. eta vs tors. theta energy: -29.150
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: 8
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -337.255901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.255901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.255901 (E_RNA)
where:
Base-Base interactions energy: -120.157
where: short stacking energy: -69.153
Base-Backbone interact. energy: -0.894
local terms energy: -216.204711
where:
bonds (distance) C4'-P energy: -55.355
bonds (distance) P-C4' energy: -66.613
flat angles C4'-P-C4' energy: -58.993
flat angles P-C4'-P energy: -34.323
tors. eta vs tors. theta energy: -0.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -296.815699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.815699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.815699 (E_RNA)
where:
Base-Base interactions energy: -98.173
where: short stacking energy: -75.058
Base-Backbone interact. energy: -1.779
local terms energy: -196.864085
where:
bonds (distance) C4'-P energy: -58.926
bonds (distance) P-C4' energy: -70.510
flat angles C4'-P-C4' energy: -51.437
flat angles P-C4'-P energy: -34.912
tors. eta vs tors. theta energy: 18.921
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: 1, replica: 9
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1273.475704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.475704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.475704 (E_RNA)
where:
Base-Base interactions energy: -878.071
where: short stacking energy: -380.376
Base-Backbone interact. energy: 1.596
local terms energy: -397.001229
where:
bonds (distance) C4'-P energy: -73.987
bonds (distance) P-C4' energy: -65.672
flat angles C4'-P-C4' energy: -84.835
flat angles P-C4'-P energy: -54.247
tors. eta vs tors. theta energy: -118.261
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: 1
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1222.669444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.669444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.669444 (E_RNA)
where:
Base-Base interactions energy: -834.505
where: short stacking energy: -344.066
Base-Backbone interact. energy: 0.296
local terms energy: -388.460693
where:
bonds (distance) C4'-P energy: -65.490
bonds (distance) P-C4' energy: -77.617
flat angles C4'-P-C4' energy: -79.360
flat angles P-C4'-P energy: -54.775
tors. eta vs tors. theta energy: -111.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -1132.151121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.151121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.151121 (E_RNA)
where:
Base-Base interactions energy: -772.917
where: short stacking energy: -315.974
Base-Backbone interact. energy: -1.467
local terms energy: -357.767522
where:
bonds (distance) C4'-P energy: -59.955
bonds (distance) P-C4' energy: -75.982
flat angles C4'-P-C4' energy: -87.497
flat angles P-C4'-P energy: -39.908
tors. eta vs tors. theta energy: -94.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1096.382407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.382407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.382407 (E_RNA)
where:
Base-Base interactions energy: -739.046
where: short stacking energy: -319.885
Base-Backbone interact. energy: -1.059
local terms energy: -356.277754
where:
bonds (distance) C4'-P energy: -66.604
bonds (distance) P-C4' energy: -62.667
flat angles C4'-P-C4' energy: -77.558
flat angles P-C4'-P energy: -52.819
tors. eta vs tors. theta energy: -96.628
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: 190
Temperature: 1.100000
Total energy: -951.725025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.725025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.725025 (E_RNA)
where:
Base-Base interactions energy: -623.736
where: short stacking energy: -270.849
Base-Backbone interact. energy: 0.435
local terms energy: -328.424456
where:
bonds (distance) C4'-P energy: -60.589
bonds (distance) P-C4' energy: -68.923
flat angles C4'-P-C4' energy: -77.577
flat angles P-C4'-P energy: -48.503
tors. eta vs tors. theta energy: -72.834
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: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -874.323835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.323835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.323835 (E_RNA)
where:
Base-Base interactions energy: -563.149
where: short stacking energy: -248.542
Base-Backbone interact. energy: -0.992
local terms energy: -310.182679
where:
bonds (distance) C4'-P energy: -56.067
bonds (distance) P-C4' energy: -69.695
flat angles C4'-P-C4' energy: -70.134
flat angles P-C4'-P energy: -49.797
tors. eta vs tors. theta energy: -64.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -819.093267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.093267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.093267 (E_RNA)
where:
Base-Base interactions energy: -545.740
where: short stacking energy: -223.614
Base-Backbone interact. energy: 0.260
local terms energy: -273.613460
where:
bonds (distance) C4'-P energy: -48.643
bonds (distance) P-C4' energy: -55.428
flat angles C4'-P-C4' energy: -70.744
flat angles P-C4'-P energy: -35.986
tors. eta vs tors. theta energy: -62.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -655.613940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.613940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.613940 (E_RNA)
where:
Base-Base interactions energy: -392.038
where: short stacking energy: -170.147
Base-Backbone interact. energy: -1.330
local terms energy: -262.245819
where:
bonds (distance) C4'-P energy: -68.137
bonds (distance) P-C4' energy: -56.165
flat angles C4'-P-C4' energy: -70.370
flat angles P-C4'-P energy: -43.555
tors. eta vs tors. theta energy: -24.019
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: 6
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -291.007469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.007469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.007469 (E_RNA)
where:
Base-Base interactions energy: -101.364
where: short stacking energy: -79.247
Base-Backbone interact. energy: -1.023
local terms energy: -188.620600
where:
bonds (distance) C4'-P energy: -52.839
bonds (distance) P-C4' energy: -64.642
flat angles C4'-P-C4' energy: -58.272
flat angles P-C4'-P energy: -19.927
tors. eta vs tors. theta energy: 7.059
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: 8
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -318.038277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.038277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.038277 (E_RNA)
where:
Base-Base interactions energy: -127.036
where: short stacking energy: -113.920
Base-Backbone interact. energy: 2.080
local terms energy: -193.082285
where:
bonds (distance) C4'-P energy: -56.047
bonds (distance) P-C4' energy: -58.479
flat angles C4'-P-C4' energy: -51.435
flat angles P-C4'-P energy: -31.712
tors. eta vs tors. theta energy: 4.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1297.070864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.070864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.070864 (E_RNA)
where:
Base-Base interactions energy: -884.001
where: short stacking energy: -364.206
Base-Backbone interact. energy: -1.805
local terms energy: -411.264794
where:
bonds (distance) C4'-P energy: -77.280
bonds (distance) P-C4' energy: -72.634
flat angles C4'-P-C4' energy: -81.479
flat angles P-C4'-P energy: -62.399
tors. eta vs tors. theta energy: -117.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1237.236822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.236822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.236822 (E_RNA)
where:
Base-Base interactions energy: -830.606
where: short stacking energy: -350.711
Base-Backbone interact. energy: -2.858
local terms energy: -403.772680
where:
bonds (distance) C4'-P energy: -73.106
bonds (distance) P-C4' energy: -75.236
flat angles C4'-P-C4' energy: -80.435
flat angles P-C4'-P energy: -60.694
tors. eta vs tors. theta energy: -114.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1134.584664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.584664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.584664 (E_RNA)
where:
Base-Base interactions energy: -776.099
where: short stacking energy: -311.263
Base-Backbone interact. energy: -1.987
local terms energy: -356.498149
where:
bonds (distance) C4'-P energy: -74.622
bonds (distance) P-C4' energy: -66.486
flat angles C4'-P-C4' energy: -78.013
flat angles P-C4'-P energy: -55.028
tors. eta vs tors. theta energy: -82.348
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: 191
Temperature: 1.050000
Total energy: -1086.501050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.501050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.501050 (E_RNA)
where:
Base-Base interactions energy: -728.938
where: short stacking energy: -314.947
Base-Backbone interact. energy: -1.820
local terms energy: -355.743177
where:
bonds (distance) C4'-P energy: -53.392
bonds (distance) P-C4' energy: -76.394
flat angles C4'-P-C4' energy: -76.129
flat angles P-C4'-P energy: -52.283
tors. eta vs tors. theta energy: -97.546
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: 5
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -959.154349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.154349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.154349 (E_RNA)
where:
Base-Base interactions energy: -613.264
where: short stacking energy: -269.702
Base-Backbone interact. energy: 0.165
local terms energy: -346.054812
where:
bonds (distance) C4'-P energy: -66.258
bonds (distance) P-C4' energy: -66.492
flat angles C4'-P-C4' energy: -75.294
flat angles P-C4'-P energy: -53.961
tors. eta vs tors. theta energy: -84.049
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: 191
Temperature: 1.150000
Total energy: -844.978674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.978674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.978674 (E_RNA)
where:
Base-Base interactions energy: -542.536
where: short stacking energy: -221.780
Base-Backbone interact. energy: -1.559
local terms energy: -300.883997
where:
bonds (distance) C4'-P energy: -60.818
bonds (distance) P-C4' energy: -66.476
flat angles C4'-P-C4' energy: -69.057
flat angles P-C4'-P energy: -51.834
tors. eta vs tors. theta energy: -52.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -834.584260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.584260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.584260 (E_RNA)
where:
Base-Base interactions energy: -560.669
where: short stacking energy: -252.159
Base-Backbone interact. energy: -1.460
local terms energy: -272.455942
where:
bonds (distance) C4'-P energy: -51.521
bonds (distance) P-C4' energy: -63.369
flat angles C4'-P-C4' energy: -73.434
flat angles P-C4'-P energy: -33.194
tors. eta vs tors. theta energy: -50.937
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: 10
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -709.936021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.936021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.936021 (E_RNA)
where:
Base-Base interactions energy: -452.206
where: short stacking energy: -203.477
Base-Backbone interact. energy: 0.451
local terms energy: -258.180643
where:
bonds (distance) C4'-P energy: -54.538
bonds (distance) P-C4' energy: -65.501
flat angles C4'-P-C4' energy: -63.920
flat angles P-C4'-P energy: -23.636
tors. eta vs tors. theta energy: -50.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -324.000039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.000039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.000039 (E_RNA)
where:
Base-Base interactions energy: -108.919
where: short stacking energy: -71.027
Base-Backbone interact. energy: 0.099
local terms energy: -215.179934
where:
bonds (distance) C4'-P energy: -51.866
bonds (distance) P-C4' energy: -74.193
flat angles C4'-P-C4' energy: -60.489
flat angles P-C4'-P energy: -39.109
tors. eta vs tors. theta energy: 10.476
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: 10, replica: 8
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -285.556817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.556817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.556817 (E_RNA)
where:
Base-Base interactions energy: -95.289
where: short stacking energy: -63.692
Base-Backbone interact. energy: -0.552
local terms energy: -189.716570
where:
bonds (distance) C4'-P energy: -51.469
bonds (distance) P-C4' energy: -67.801
flat angles C4'-P-C4' energy: -56.715
flat angles P-C4'-P energy: -43.535
tors. eta vs tors. theta energy: 29.802
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: 9
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1271.661380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.661380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.661380 (E_RNA)
where:
Base-Base interactions energy: -861.954
where: short stacking energy: -377.473
Base-Backbone interact. energy: -0.870
local terms energy: -408.836875
where:
bonds (distance) C4'-P energy: -71.867
bonds (distance) P-C4' energy: -72.537
flat angles C4'-P-C4' energy: -86.376
flat angles P-C4'-P energy: -58.901
tors. eta vs tors. theta energy: -119.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1212.469859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.469859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.469859 (E_RNA)
where:
Base-Base interactions energy: -818.945
where: short stacking energy: -353.555
Base-Backbone interact. energy: -2.472
local terms energy: -391.052843
where:
bonds (distance) C4'-P energy: -71.883
bonds (distance) P-C4' energy: -70.679
flat angles C4'-P-C4' energy: -81.569
flat angles P-C4'-P energy: -60.868
tors. eta vs tors. theta energy: -106.053
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: 3, replica: 7
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1145.314331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.314331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.314331 (E_RNA)
where:
Base-Base interactions energy: -793.885
where: short stacking energy: -325.347
Base-Backbone interact. energy: -0.603
local terms energy: -350.826991
where:
bonds (distance) C4'-P energy: -61.603
bonds (distance) P-C4' energy: -69.570
flat angles C4'-P-C4' energy: -74.938
flat angles P-C4'-P energy: -58.609
tors. eta vs tors. theta energy: -86.105
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: 3
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1084.457613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.457613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.457613 (E_RNA)
where:
Base-Base interactions energy: -729.890
where: short stacking energy: -324.354
Base-Backbone interact. energy: -1.564
local terms energy: -353.004043
where:
bonds (distance) C4'-P energy: -66.669
bonds (distance) P-C4' energy: -60.595
flat angles C4'-P-C4' energy: -74.797
flat angles P-C4'-P energy: -54.326
tors. eta vs tors. theta energy: -96.618
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: 5
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -987.209940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.209940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.209940 (E_RNA)
where:
Base-Base interactions energy: -681.332
where: short stacking energy: -286.547
Base-Backbone interact. energy: -1.838
local terms energy: -304.039375
where:
bonds (distance) C4'-P energy: -56.631
bonds (distance) P-C4' energy: -54.587
flat angles C4'-P-C4' energy: -75.881
flat angles P-C4'-P energy: -36.539
tors. eta vs tors. theta energy: -80.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -878.202449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.202449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.202449 (E_RNA)
where:
Base-Base interactions energy: -572.247
where: short stacking energy: -254.052
Base-Backbone interact. energy: -0.632
local terms energy: -305.323147
where:
bonds (distance) C4'-P energy: -57.525
bonds (distance) P-C4' energy: -64.637
flat angles C4'-P-C4' energy: -77.998
flat angles P-C4'-P energy: -41.767
tors. eta vs tors. theta energy: -63.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -865.054666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.054666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.054666 (E_RNA)
where:
Base-Base interactions energy: -573.044
where: short stacking energy: -256.143
Base-Backbone interact. energy: 0.449
local terms energy: -292.459733
where:
bonds (distance) C4'-P energy: -57.109
bonds (distance) P-C4' energy: -64.760
flat angles C4'-P-C4' energy: -65.187
flat angles P-C4'-P energy: -43.705
tors. eta vs tors. theta energy: -61.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -743.143396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.143396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.143396 (E_RNA)
where:
Base-Base interactions energy: -471.292
where: short stacking energy: -194.794
Base-Backbone interact. energy: 3.182
local terms energy: -275.033473
where:
bonds (distance) C4'-P energy: -54.160
bonds (distance) P-C4' energy: -77.271
flat angles C4'-P-C4' energy: -64.561
flat angles P-C4'-P energy: -44.719
tors. eta vs tors. theta energy: -34.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -312.058722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.058722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.058722 (E_RNA)
where:
Base-Base interactions energy: -112.826
where: short stacking energy: -87.816
Base-Backbone interact. energy: 0.550
local terms energy: -199.783066
where:
bonds (distance) C4'-P energy: -60.038
bonds (distance) P-C4' energy: -66.714
flat angles C4'-P-C4' energy: -50.773
flat angles P-C4'-P energy: -36.137
tors. eta vs tors. theta energy: 13.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -316.464449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.464449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.464449 (E_RNA)
where:
Base-Base interactions energy: -124.128
where: short stacking energy: -86.644
Base-Backbone interact. energy: 0.189
local terms energy: -192.526281
where:
bonds (distance) C4'-P energy: -57.170
bonds (distance) P-C4' energy: -56.191
flat angles C4'-P-C4' energy: -58.844
flat angles P-C4'-P energy: -25.059
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: 1, replica: 9
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1294.105576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.105576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.105576 (E_RNA)
where:
Base-Base interactions energy: -883.253
where: short stacking energy: -382.343
Base-Backbone interact. energy: -0.146
local terms energy: -410.706967
where:
bonds (distance) C4'-P energy: -77.245
bonds (distance) P-C4' energy: -75.763
flat angles C4'-P-C4' energy: -76.590
flat angles P-C4'-P energy: -66.069
tors. eta vs tors. theta energy: -115.041
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: 7
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1174.169805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.169805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.169805 (E_RNA)
where:
Base-Base interactions energy: -800.377
where: short stacking energy: -352.239
Base-Backbone interact. energy: -0.364
local terms energy: -373.428397
where:
bonds (distance) C4'-P energy: -66.381
bonds (distance) P-C4' energy: -73.820
flat angles C4'-P-C4' energy: -78.399
flat angles P-C4'-P energy: -57.227
tors. eta vs tors. theta energy: -97.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1163.449492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.449492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.449492 (E_RNA)
where:
Base-Base interactions energy: -808.140
where: short stacking energy: -331.588
Base-Backbone interact. energy: -3.378
local terms energy: -351.932376
where:
bonds (distance) C4'-P energy: -63.444
bonds (distance) P-C4' energy: -71.748
flat angles C4'-P-C4' energy: -69.577
flat angles P-C4'-P energy: -49.123
tors. eta vs tors. theta energy: -98.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1074.403000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.403000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.403000 (E_RNA)
where:
Base-Base interactions energy: -724.264
where: short stacking energy: -315.117
Base-Backbone interact. energy: -0.791
local terms energy: -349.348142
where:
bonds (distance) C4'-P energy: -64.580
bonds (distance) P-C4' energy: -69.218
flat angles C4'-P-C4' energy: -78.763
flat angles P-C4'-P energy: -45.400
tors. eta vs tors. theta energy: -91.387
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: 193
Temperature: 1.100000
Total energy: -991.104554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.104554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.104554 (E_RNA)
where:
Base-Base interactions energy: -647.709
where: short stacking energy: -284.817
Base-Backbone interact. energy: 1.087
local terms energy: -344.482296
where:
bonds (distance) C4'-P energy: -68.301
bonds (distance) P-C4' energy: -65.641
flat angles C4'-P-C4' energy: -71.212
flat angles P-C4'-P energy: -53.120
tors. eta vs tors. theta energy: -86.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -890.926437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.926437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.926437 (E_RNA)
where:
Base-Base interactions energy: -588.272
where: short stacking energy: -256.457
Base-Backbone interact. energy: -0.808
local terms energy: -301.845917
where:
bonds (distance) C4'-P energy: -64.915
bonds (distance) P-C4' energy: -62.044
flat angles C4'-P-C4' energy: -59.714
flat angles P-C4'-P energy: -48.436
tors. eta vs tors. theta energy: -66.736
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: 4
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -813.199339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.199339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.199339 (E_RNA)
where:
Base-Base interactions energy: -525.605
where: short stacking energy: -216.403
Base-Backbone interact. energy: -1.506
local terms energy: -286.087917
where:
bonds (distance) C4'-P energy: -64.201
bonds (distance) P-C4' energy: -61.904
flat angles C4'-P-C4' energy: -66.354
flat angles P-C4'-P energy: -41.103
tors. eta vs tors. theta energy: -52.526
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: 193
Temperature: 1.250000
Total energy: -709.482055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.482055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.482055 (E_RNA)
where:
Base-Base interactions energy: -439.725
where: short stacking energy: -190.937
Base-Backbone interact. energy: -1.007
local terms energy: -268.749543
where:
bonds (distance) C4'-P energy: -60.707
bonds (distance) P-C4' energy: -60.911
flat angles C4'-P-C4' energy: -63.840
flat angles P-C4'-P energy: -36.908
tors. eta vs tors. theta energy: -46.384
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: 193
Temperature: 1.300000
Total energy: -325.102080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.102080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.102080 (E_RNA)
where:
Base-Base interactions energy: -108.440
where: short stacking energy: -89.622
Base-Backbone interact. energy: -1.693
local terms energy: -214.968896
where:
bonds (distance) C4'-P energy: -67.558
bonds (distance) P-C4' energy: -65.223
flat angles C4'-P-C4' energy: -43.339
flat angles P-C4'-P energy: -31.680
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: 10, replica: 8
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -286.460684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.460684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.460684 (E_RNA)
where:
Base-Base interactions energy: -85.761
where: short stacking energy: -75.011
Base-Backbone interact. energy: -2.359
local terms energy: -198.340520
where:
bonds (distance) C4'-P energy: -57.064
bonds (distance) P-C4' energy: -73.122
flat angles C4'-P-C4' energy: -64.276
flat angles P-C4'-P energy: -20.837
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: 1, replica: 9
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1291.116853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.116853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.116853 (E_RNA)
where:
Base-Base interactions energy: -903.133
where: short stacking energy: -375.294
Base-Backbone interact. energy: 1.353
local terms energy: -389.337138
where:
bonds (distance) C4'-P energy: -66.693
bonds (distance) P-C4' energy: -76.489
flat angles C4'-P-C4' energy: -83.226
flat angles P-C4'-P energy: -53.740
tors. eta vs tors. theta energy: -109.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1164.220797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.220797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.220797 (E_RNA)
where:
Base-Base interactions energy: -807.934
where: short stacking energy: -318.734
Base-Backbone interact. energy: -1.246
local terms energy: -355.040946
where:
bonds (distance) C4'-P energy: -71.829
bonds (distance) P-C4' energy: -76.577
flat angles C4'-P-C4' energy: -74.941
flat angles P-C4'-P energy: -41.350
tors. eta vs tors. theta energy: -90.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1177.173470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.173470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.173470 (E_RNA)
where:
Base-Base interactions energy: -785.500
where: short stacking energy: -340.779
Base-Backbone interact. energy: -2.356
local terms energy: -389.317571
where:
bonds (distance) C4'-P energy: -63.267
bonds (distance) P-C4' energy: -80.758
flat angles C4'-P-C4' energy: -82.721
flat angles P-C4'-P energy: -57.678
tors. eta vs tors. theta energy: -104.893
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: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1093.671431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.671431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.671431 (E_RNA)
where:
Base-Base interactions energy: -732.634
where: short stacking energy: -314.390
Base-Backbone interact. energy: -1.284
local terms energy: -359.753507
where:
bonds (distance) C4'-P energy: -72.488
bonds (distance) P-C4' energy: -64.772
flat angles C4'-P-C4' energy: -79.617
flat angles P-C4'-P energy: -44.394
tors. eta vs tors. theta energy: -98.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1020.521167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.521167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.521167 (E_RNA)
where:
Base-Base interactions energy: -683.331
where: short stacking energy: -274.225
Base-Backbone interact. energy: -1.386
local terms energy: -335.804890
where:
bonds (distance) C4'-P energy: -62.256
bonds (distance) P-C4' energy: -69.212
flat angles C4'-P-C4' energy: -64.469
flat angles P-C4'-P energy: -52.016
tors. eta vs tors. theta energy: -87.852
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: 2
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -894.760362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.760362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.760362 (E_RNA)
where:
Base-Base interactions energy: -576.100
where: short stacking energy: -256.800
Base-Backbone interact. energy: 0.591
local terms energy: -319.251609
where:
bonds (distance) C4'-P energy: -63.964
bonds (distance) P-C4' energy: -71.866
flat angles C4'-P-C4' energy: -72.758
flat angles P-C4'-P energy: -48.591
tors. eta vs tors. theta energy: -62.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -800.371281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.371281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.371281 (E_RNA)
where:
Base-Base interactions energy: -497.582
where: short stacking energy: -228.959
Base-Backbone interact. energy: -1.903
local terms energy: -300.886832
where:
bonds (distance) C4'-P energy: -65.111
bonds (distance) P-C4' energy: -69.509
flat angles C4'-P-C4' energy: -59.181
flat angles P-C4'-P energy: -42.348
tors. eta vs tors. theta energy: -64.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -723.749371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.749371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.749371 (E_RNA)
where:
Base-Base interactions energy: -471.062
where: short stacking energy: -203.799
Base-Backbone interact. energy: -2.051
local terms energy: -250.636127
where:
bonds (distance) C4'-P energy: -63.921
bonds (distance) P-C4' energy: -64.586
flat angles C4'-P-C4' energy: -61.387
flat angles P-C4'-P energy: -30.667
tors. eta vs tors. theta energy: -30.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -308.023751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.023751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.023751 (E_RNA)
where:
Base-Base interactions energy: -129.720
where: short stacking energy: -106.844
Base-Backbone interact. energy: 0.945
local terms energy: -179.248890
where:
bonds (distance) C4'-P energy: -55.418
bonds (distance) P-C4' energy: -44.275
flat angles C4'-P-C4' energy: -56.947
flat angles P-C4'-P energy: -23.881
tors. eta vs tors. theta energy: 1.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -295.779071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.779071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.779071 (E_RNA)
where:
Base-Base interactions energy: -101.430
where: short stacking energy: -76.825
Base-Backbone interact. energy: -1.783
local terms energy: -192.566175
where:
bonds (distance) C4'-P energy: -51.373
bonds (distance) P-C4' energy: -58.838
flat angles C4'-P-C4' energy: -51.335
flat angles P-C4'-P energy: -37.219
tors. eta vs tors. theta energy: 6.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1285.977395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.977395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.977395 (E_RNA)
where:
Base-Base interactions energy: -874.003
where: short stacking energy: -376.395
Base-Backbone interact. energy: -0.409
local terms energy: -411.565409
where:
bonds (distance) C4'-P energy: -72.270
bonds (distance) P-C4' energy: -79.292
flat angles C4'-P-C4' energy: -86.360
flat angles P-C4'-P energy: -55.182
tors. eta vs tors. theta energy: -118.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1142.425305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.425305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.425305 (E_RNA)
where:
Base-Base interactions energy: -797.504
where: short stacking energy: -331.822
Base-Backbone interact. energy: -0.039
local terms energy: -344.882727
where:
bonds (distance) C4'-P energy: -63.837
bonds (distance) P-C4' energy: -70.527
flat angles C4'-P-C4' energy: -77.628
flat angles P-C4'-P energy: -42.810
tors. eta vs tors. theta energy: -90.080
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: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1178.946114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.946114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.946114 (E_RNA)
where:
Base-Base interactions energy: -788.182
where: short stacking energy: -348.804
Base-Backbone interact. energy: -4.101
local terms energy: -386.663266
where:
bonds (distance) C4'-P energy: -76.976
bonds (distance) P-C4' energy: -77.173
flat angles C4'-P-C4' energy: -74.562
flat angles P-C4'-P energy: -47.962
tors. eta vs tors. theta energy: -109.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1096.021446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.021446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.021446 (E_RNA)
where:
Base-Base interactions energy: -737.597
where: short stacking energy: -339.834
Base-Backbone interact. energy: 1.349
local terms energy: -359.773515
where:
bonds (distance) C4'-P energy: -65.728
bonds (distance) P-C4' energy: -64.800
flat angles C4'-P-C4' energy: -71.846
flat angles P-C4'-P energy: -52.756
tors. eta vs tors. theta energy: -104.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -998.414855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.414855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.414855 (E_RNA)
where:
Base-Base interactions energy: -661.997
where: short stacking energy: -290.928
Base-Backbone interact. energy: 1.379
local terms energy: -337.797274
where:
bonds (distance) C4'-P energy: -56.553
bonds (distance) P-C4' energy: -76.612
flat angles C4'-P-C4' energy: -73.075
flat angles P-C4'-P energy: -40.170
tors. eta vs tors. theta energy: -91.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -908.081271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.081271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.081271 (E_RNA)
where:
Base-Base interactions energy: -586.614
where: short stacking energy: -251.456
Base-Backbone interact. energy: -0.286
local terms energy: -321.180935
where:
bonds (distance) C4'-P energy: -66.093
bonds (distance) P-C4' energy: -74.706
flat angles C4'-P-C4' energy: -75.235
flat angles P-C4'-P energy: -38.755
tors. eta vs tors. theta energy: -66.392
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: 4
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -678.743188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.743188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.743188 (E_RNA)
where:
Base-Base interactions energy: -399.731
where: short stacking energy: -186.940
Base-Backbone interact. energy: 2.962
local terms energy: -281.973912
where:
bonds (distance) C4'-P energy: -65.230
bonds (distance) P-C4' energy: -61.340
flat angles C4'-P-C4' energy: -70.348
flat angles P-C4'-P energy: -40.013
tors. eta vs tors. theta energy: -45.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -709.914020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.914020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.914020 (E_RNA)
where:
Base-Base interactions energy: -427.123
where: short stacking energy: -190.085
Base-Backbone interact. energy: -1.104
local terms energy: -281.687192
where:
bonds (distance) C4'-P energy: -66.834
bonds (distance) P-C4' energy: -64.416
flat angles C4'-P-C4' energy: -64.031
flat angles P-C4'-P energy: -33.306
tors. eta vs tors. theta energy: -53.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -324.543896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.543896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.543896 (E_RNA)
where:
Base-Base interactions energy: -105.412
where: short stacking energy: -68.791
Base-Backbone interact. energy: -1.552
local terms energy: -217.579922
where:
bonds (distance) C4'-P energy: -64.911
bonds (distance) P-C4' energy: -63.788
flat angles C4'-P-C4' energy: -64.603
flat angles P-C4'-P energy: -39.340
tors. eta vs tors. theta energy: 15.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -300.300360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.300360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.300360 (E_RNA)
where:
Base-Base interactions energy: -110.691
where: short stacking energy: -99.525
Base-Backbone interact. energy: -0.369
local terms energy: -189.239635
where:
bonds (distance) C4'-P energy: -58.780
bonds (distance) P-C4' energy: -49.276
flat angles C4'-P-C4' energy: -49.914
flat angles P-C4'-P energy: -34.772
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: 9
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1252.751516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.751516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.751516 (E_RNA)
where:
Base-Base interactions energy: -853.969
where: short stacking energy: -369.304
Base-Backbone interact. energy: -0.397
local terms energy: -398.385751
where:
bonds (distance) C4'-P energy: -68.863
bonds (distance) P-C4' energy: -80.083
flat angles C4'-P-C4' energy: -85.600
flat angles P-C4'-P energy: -60.067
tors. eta vs tors. theta energy: -103.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1159.350783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.350783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.350783 (E_RNA)
where:
Base-Base interactions energy: -777.107
where: short stacking energy: -319.304
Base-Backbone interact. energy: 3.125
local terms energy: -385.367848
where:
bonds (distance) C4'-P energy: -68.602
bonds (distance) P-C4' energy: -82.153
flat angles C4'-P-C4' energy: -76.826
flat angles P-C4'-P energy: -57.412
tors. eta vs tors. theta energy: -100.375
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: 1
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -1184.663684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.663684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.663684 (E_RNA)
where:
Base-Base interactions energy: -792.998
where: short stacking energy: -347.789
Base-Backbone interact. energy: -2.272
local terms energy: -389.393897
where:
bonds (distance) C4'-P energy: -64.403
bonds (distance) P-C4' energy: -79.297
flat angles C4'-P-C4' energy: -83.942
flat angles P-C4'-P energy: -57.849
tors. eta vs tors. theta energy: -103.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1110.889313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.889313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.889313 (E_RNA)
where:
Base-Base interactions energy: -750.111
where: short stacking energy: -324.121
Base-Backbone interact. energy: 2.881
local terms energy: -363.658781
where:
bonds (distance) C4'-P energy: -54.502
bonds (distance) P-C4' energy: -82.606
flat angles C4'-P-C4' energy: -71.758
flat angles P-C4'-P energy: -48.175
tors. eta vs tors. theta energy: -106.619
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: 5, replica: 2
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -946.135961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.135961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.135961 (E_RNA)
where:
Base-Base interactions energy: -632.815
where: short stacking energy: -278.632
Base-Backbone interact. energy: -0.837
local terms energy: -312.484305
where:
bonds (distance) C4'-P energy: -67.906
bonds (distance) P-C4' energy: -58.181
flat angles C4'-P-C4' energy: -68.437
flat angles P-C4'-P energy: -41.367
tors. eta vs tors. theta energy: -76.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -978.265807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.265807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.265807 (E_RNA)
where:
Base-Base interactions energy: -660.701
where: short stacking energy: -271.945
Base-Backbone interact. energy: -2.380
local terms energy: -315.185052
where:
bonds (distance) C4'-P energy: -61.091
bonds (distance) P-C4' energy: -70.916
flat angles C4'-P-C4' energy: -67.695
flat angles P-C4'-P energy: -46.346
tors. eta vs tors. theta energy: -69.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -713.311087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.311087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.311087 (E_RNA)
where:
Base-Base interactions energy: -446.678
where: short stacking energy: -200.128
Base-Backbone interact. energy: 0.378
local terms energy: -267.011655
where:
bonds (distance) C4'-P energy: -58.970
bonds (distance) P-C4' energy: -57.757
flat angles C4'-P-C4' energy: -69.212
flat angles P-C4'-P energy: -46.692
tors. eta vs tors. theta energy: -34.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -616.982187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.982187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.982187 (E_RNA)
where:
Base-Base interactions energy: -384.772
where: short stacking energy: -161.316
Base-Backbone interact. energy: -1.563
local terms energy: -230.647318
where:
bonds (distance) C4'-P energy: -51.404
bonds (distance) P-C4' energy: -60.812
flat angles C4'-P-C4' energy: -57.674
flat angles P-C4'-P energy: -23.557
tors. eta vs tors. theta energy: -37.200
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: 6
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -319.287962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.287962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.287962 (E_RNA)
where:
Base-Base interactions energy: -117.918
where: short stacking energy: -99.575
Base-Backbone interact. energy: 1.957
local terms energy: -203.326268
where:
bonds (distance) C4'-P energy: -59.026
bonds (distance) P-C4' energy: -67.194
flat angles C4'-P-C4' energy: -47.319
flat angles P-C4'-P energy: -34.423
tors. eta vs tors. theta energy: 4.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -316.028489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.028489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.028489 (E_RNA)
where:
Base-Base interactions energy: -100.811
where: short stacking energy: -80.644
Base-Backbone interact. energy: -0.372
local terms energy: -214.845367
where:
bonds (distance) C4'-P energy: -76.853
bonds (distance) P-C4' energy: -67.788
flat angles C4'-P-C4' energy: -45.572
flat angles P-C4'-P energy: -36.174
tors. eta vs tors. theta energy: 11.541
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: 197
Temperature: 0.900000
Total energy: -1270.038892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.038892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.038892 (E_RNA)
where:
Base-Base interactions energy: -861.141
where: short stacking energy: -366.728
Base-Backbone interact. energy: -0.234
local terms energy: -408.663431
where:
bonds (distance) C4'-P energy: -72.193
bonds (distance) P-C4' energy: -70.209
flat angles C4'-P-C4' energy: -82.759
flat angles P-C4'-P energy: -68.677
tors. eta vs tors. theta energy: -114.825
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: 7
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1162.921001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.921001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.921001 (E_RNA)
where:
Base-Base interactions energy: -801.088
where: short stacking energy: -326.672
Base-Backbone interact. energy: -1.597
local terms energy: -360.236351
where:
bonds (distance) C4'-P energy: -56.862
bonds (distance) P-C4' energy: -73.643
flat angles C4'-P-C4' energy: -73.534
flat angles P-C4'-P energy: -64.766
tors. eta vs tors. theta energy: -91.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1181.756048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.756048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.756048 (E_RNA)
where:
Base-Base interactions energy: -797.799
where: short stacking energy: -337.493
Base-Backbone interact. energy: -3.754
local terms energy: -380.203528
where:
bonds (distance) C4'-P energy: -67.869
bonds (distance) P-C4' energy: -69.815
flat angles C4'-P-C4' energy: -80.430
flat angles P-C4'-P energy: -54.784
tors. eta vs tors. theta energy: -107.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1115.623566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.623566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.623566 (E_RNA)
where:
Base-Base interactions energy: -737.936
where: short stacking energy: -311.581
Base-Backbone interact. energy: -2.153
local terms energy: -375.534565
where:
bonds (distance) C4'-P energy: -77.149
bonds (distance) P-C4' energy: -72.297
flat angles C4'-P-C4' energy: -75.497
flat angles P-C4'-P energy: -48.568
tors. eta vs tors. theta energy: -102.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -934.184061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.184061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.184061 (E_RNA)
where:
Base-Base interactions energy: -622.402
where: short stacking energy: -274.079
Base-Backbone interact. energy: -2.966
local terms energy: -308.815935
where:
bonds (distance) C4'-P energy: -50.212
bonds (distance) P-C4' energy: -67.273
flat angles C4'-P-C4' energy: -72.130
flat angles P-C4'-P energy: -52.194
tors. eta vs tors. theta energy: -67.007
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: 5
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -974.020655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.020655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.020655 (E_RNA)
where:
Base-Base interactions energy: -643.335
where: short stacking energy: -250.502
Base-Backbone interact. energy: -3.313
local terms energy: -327.372707
where:
bonds (distance) C4'-P energy: -63.580
bonds (distance) P-C4' energy: -72.983
flat angles C4'-P-C4' energy: -66.742
flat angles P-C4'-P energy: -51.219
tors. eta vs tors. theta energy: -72.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -725.580249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.580249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.580249 (E_RNA)
where:
Base-Base interactions energy: -443.921
where: short stacking energy: -201.964
Base-Backbone interact. energy: 1.532
local terms energy: -283.191235
where:
bonds (distance) C4'-P energy: -49.540
bonds (distance) P-C4' energy: -70.871
flat angles C4'-P-C4' energy: -68.970
flat angles P-C4'-P energy: -48.771
tors. eta vs tors. theta energy: -45.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -596.304458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.304458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.304458 (E_RNA)
where:
Base-Base interactions energy: -345.478
where: short stacking energy: -154.752
Base-Backbone interact. energy: 2.247
local terms energy: -253.073685
where:
bonds (distance) C4'-P energy: -59.054
bonds (distance) P-C4' energy: -60.887
flat angles C4'-P-C4' energy: -76.650
flat angles P-C4'-P energy: -35.836
tors. eta vs tors. theta energy: -20.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -340.095020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.095020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.095020 (E_RNA)
where:
Base-Base interactions energy: -128.578
where: short stacking energy: -104.710
Base-Backbone interact. energy: 1.211
local terms energy: -212.728580
where:
bonds (distance) C4'-P energy: -56.888
bonds (distance) P-C4' energy: -61.774
flat angles C4'-P-C4' energy: -70.534
flat angles P-C4'-P energy: -24.683
tors. eta vs tors. theta energy: 1.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -298.761639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.761639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.761639 (E_RNA)
where:
Base-Base interactions energy: -85.923
where: short stacking energy: -77.361
Base-Backbone interact. energy: 0.741
local terms energy: -213.579736
where:
bonds (distance) C4'-P energy: -77.674
bonds (distance) P-C4' energy: -60.479
flat angles C4'-P-C4' energy: -45.044
flat angles P-C4'-P energy: -30.549
tors. eta vs tors. theta energy: 0.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1250.406613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.406613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.406613 (E_RNA)
where:
Base-Base interactions energy: -850.883
where: short stacking energy: -357.457
Base-Backbone interact. energy: 0.790
local terms energy: -400.313468
where:
bonds (distance) C4'-P energy: -68.490
bonds (distance) P-C4' energy: -83.099
flat angles C4'-P-C4' energy: -81.142
flat angles P-C4'-P energy: -55.727
tors. eta vs tors. theta energy: -111.855
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: 7
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1169.331300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.331300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.331300 (E_RNA)
where:
Base-Base interactions energy: -787.256
where: short stacking energy: -336.848
Base-Backbone interact. energy: -1.261
local terms energy: -380.813996
where:
bonds (distance) C4'-P energy: -76.842
bonds (distance) P-C4' energy: -72.129
flat angles C4'-P-C4' energy: -77.804
flat angles P-C4'-P energy: -54.103
tors. eta vs tors. theta energy: -99.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1168.426974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.426974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.426974 (E_RNA)
where:
Base-Base interactions energy: -782.844
where: short stacking energy: -338.983
Base-Backbone interact. energy: -0.461
local terms energy: -385.121767
where:
bonds (distance) C4'-P energy: -73.614
bonds (distance) P-C4' energy: -65.549
flat angles C4'-P-C4' energy: -87.216
flat angles P-C4'-P energy: -51.847
tors. eta vs tors. theta energy: -106.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1078.713654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.713654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.713654 (E_RNA)
where:
Base-Base interactions energy: -729.491
where: short stacking energy: -320.342
Base-Backbone interact. energy: -0.850
local terms energy: -348.372514
where:
bonds (distance) C4'-P energy: -63.256
bonds (distance) P-C4' energy: -60.482
flat angles C4'-P-C4' energy: -79.526
flat angles P-C4'-P energy: -48.365
tors. eta vs tors. theta energy: -96.743
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: 5, replica: 5
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -985.720808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.720808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.720808 (E_RNA)
where:
Base-Base interactions energy: -643.362
where: short stacking energy: -257.496
Base-Backbone interact. energy: -0.092
local terms energy: -342.267673
where:
bonds (distance) C4'-P energy: -69.372
bonds (distance) P-C4' energy: -66.313
flat angles C4'-P-C4' energy: -77.278
flat angles P-C4'-P energy: -45.304
tors. eta vs tors. theta energy: -84.000
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: 2
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -918.047807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.047807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.047807 (E_RNA)
where:
Base-Base interactions energy: -582.785
where: short stacking energy: -262.712
Base-Backbone interact. energy: 1.881
local terms energy: -337.143846
where:
bonds (distance) C4'-P energy: -65.786
bonds (distance) P-C4' energy: -71.393
flat angles C4'-P-C4' energy: -76.101
flat angles P-C4'-P energy: -56.855
tors. eta vs tors. theta energy: -67.008
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: 198
Temperature: 1.200000
Total energy: -700.703583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.703583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.703583 (E_RNA)
where:
Base-Base interactions energy: -427.169
where: short stacking energy: -209.930
Base-Backbone interact. energy: 0.471
local terms energy: -274.005316
where:
bonds (distance) C4'-P energy: -61.034
bonds (distance) P-C4' energy: -74.988
flat angles C4'-P-C4' energy: -65.903
flat angles P-C4'-P energy: -30.225
tors. eta vs tors. theta energy: -41.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -648.504602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.504602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.504602 (E_RNA)
where:
Base-Base interactions energy: -388.410
where: short stacking energy: -180.561
Base-Backbone interact. energy: -1.504
local terms energy: -258.590051
where:
bonds (distance) C4'-P energy: -60.523
bonds (distance) P-C4' energy: -57.705
flat angles C4'-P-C4' energy: -71.395
flat angles P-C4'-P energy: -25.832
tors. eta vs tors. theta energy: -43.135
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: 9, replica: 8
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -330.729315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.729315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.729315 (E_RNA)
where:
Base-Base interactions energy: -116.807
where: short stacking energy: -93.401
Base-Backbone interact. energy: 0.070
local terms energy: -213.991988
where:
bonds (distance) C4'-P energy: -67.916
bonds (distance) P-C4' energy: -68.060
flat angles C4'-P-C4' energy: -46.280
flat angles P-C4'-P energy: -35.186
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: 10, replica: 6
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -298.924878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.924878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.924878 (E_RNA)
where:
Base-Base interactions energy: -122.273
where: short stacking energy: -83.605
Base-Backbone interact. energy: 4.876
local terms energy: -181.527732
where:
bonds (distance) C4'-P energy: -53.748
bonds (distance) P-C4' energy: -65.643
flat angles C4'-P-C4' energy: -51.971
flat angles P-C4'-P energy: -29.344
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: 1, replica: 9
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1272.813288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.813288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.813288 (E_RNA)
where:
Base-Base interactions energy: -865.812
where: short stacking energy: -365.807
Base-Backbone interact. energy: -1.886
local terms energy: -405.115741
where:
bonds (distance) C4'-P energy: -78.517
bonds (distance) P-C4' energy: -76.361
flat angles C4'-P-C4' energy: -80.135
flat angles P-C4'-P energy: -58.709
tors. eta vs tors. theta energy: -111.394
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: 7
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1175.177784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.177784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.177784 (E_RNA)
where:
Base-Base interactions energy: -810.870
where: short stacking energy: -339.362
Base-Backbone interact. energy: -0.763
local terms energy: -363.545630
where:
bonds (distance) C4'-P energy: -72.911
bonds (distance) P-C4' energy: -68.235
flat angles C4'-P-C4' energy: -77.368
flat angles P-C4'-P energy: -50.993
tors. eta vs tors. theta energy: -94.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1159.162437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.162437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.162437 (E_RNA)
where:
Base-Base interactions energy: -780.340
where: short stacking energy: -324.242
Base-Backbone interact. energy: -1.430
local terms energy: -377.392430
where:
bonds (distance) C4'-P energy: -69.076
bonds (distance) P-C4' energy: -75.607
flat angles C4'-P-C4' energy: -74.277
flat angles P-C4'-P energy: -52.055
tors. eta vs tors. theta energy: -106.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1102.642282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.642282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.642282 (E_RNA)
where:
Base-Base interactions energy: -739.288
where: short stacking energy: -322.107
Base-Backbone interact. energy: -1.760
local terms energy: -361.593671
where:
bonds (distance) C4'-P energy: -60.461
bonds (distance) P-C4' energy: -79.096
flat angles C4'-P-C4' energy: -78.138
flat angles P-C4'-P energy: -47.227
tors. eta vs tors. theta energy: -96.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -921.504066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.504066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.504066 (E_RNA)
where:
Base-Base interactions energy: -598.489
where: short stacking energy: -248.557
Base-Backbone interact. energy: -4.915
local terms energy: -318.099551
where:
bonds (distance) C4'-P energy: -61.293
bonds (distance) P-C4' energy: -62.844
flat angles C4'-P-C4' energy: -67.172
flat angles P-C4'-P energy: -55.489
tors. eta vs tors. theta energy: -71.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -925.825843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.825843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.825843 (E_RNA)
where:
Base-Base interactions energy: -598.435
where: short stacking energy: -264.630
Base-Backbone interact. energy: 1.635
local terms energy: -329.025737
where:
bonds (distance) C4'-P energy: -67.788
bonds (distance) P-C4' energy: -71.923
flat angles C4'-P-C4' energy: -65.755
flat angles P-C4'-P energy: -51.472
tors. eta vs tors. theta energy: -72.087
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: 7, replica: 10
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -702.018155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.018155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.018155 (E_RNA)
where:
Base-Base interactions energy: -410.575
where: short stacking energy: -193.915
Base-Backbone interact. energy: 1.340
local terms energy: -292.783325
where:
bonds (distance) C4'-P energy: -59.675
bonds (distance) P-C4' energy: -61.954
flat angles C4'-P-C4' energy: -71.619
flat angles P-C4'-P energy: -49.020
tors. eta vs tors. theta energy: -50.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -594.439941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.439941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.439941 (E_RNA)
where:
Base-Base interactions energy: -342.077
where: short stacking energy: -163.574
Base-Backbone interact. energy: -2.648
local terms energy: -249.714741
where:
bonds (distance) C4'-P energy: -59.531
bonds (distance) P-C4' energy: -62.451
flat angles C4'-P-C4' energy: -69.347
flat angles P-C4'-P energy: -27.973
tors. eta vs tors. theta energy: -30.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -356.439975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.439975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.439975 (E_RNA)
where:
Base-Base interactions energy: -158.430
where: short stacking energy: -118.361
Base-Backbone interact. energy: 1.527
local terms energy: -199.537033
where:
bonds (distance) C4'-P energy: -51.549
bonds (distance) P-C4' energy: -72.580
flat angles C4'-P-C4' energy: -54.095
flat angles P-C4'-P energy: -25.620
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: 6
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -308.603345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.603345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.603345 (E_RNA)
where:
Base-Base interactions energy: -129.322
where: short stacking energy: -75.692
Base-Backbone interact. energy: 0.935
local terms energy: -180.216467
where:
bonds (distance) C4'-P energy: -62.664
bonds (distance) P-C4' energy: -55.720
flat angles C4'-P-C4' energy: -48.149
flat angles P-C4'-P energy: -24.770
tors. eta vs tors. theta energy: 11.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1269.283213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.283213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.283213 (E_RNA)
where:
Base-Base interactions energy: -857.673
where: short stacking energy: -355.960
Base-Backbone interact. energy: -0.483
local terms energy: -411.127409
where:
bonds (distance) C4'-P energy: -73.761
bonds (distance) P-C4' energy: -74.610
flat angles C4'-P-C4' energy: -86.348
flat angles P-C4'-P energy: -60.111
tors. eta vs tors. theta energy: -116.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1166.046405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.046405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.046405 (E_RNA)
where:
Base-Base interactions energy: -807.982
where: short stacking energy: -327.956
Base-Backbone interact. energy: -0.806
local terms energy: -357.258324
where:
bonds (distance) C4'-P energy: -66.329
bonds (distance) P-C4' energy: -75.677
flat angles C4'-P-C4' energy: -80.049
flat angles P-C4'-P energy: -47.086
tors. eta vs tors. theta energy: -88.118
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: 1
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1170.419771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.419771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.419771 (E_RNA)
where:
Base-Base interactions energy: -766.219
where: short stacking energy: -336.723
Base-Backbone interact. energy: -2.591
local terms energy: -401.610051
where:
bonds (distance) C4'-P energy: -74.055
bonds (distance) P-C4' energy: -74.376
flat angles C4'-P-C4' energy: -84.077
flat angles P-C4'-P energy: -56.480
tors. eta vs tors. theta energy: -112.622
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: 4, replica: 3
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1069.793990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.793990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.793990 (E_RNA)
where:
Base-Base interactions energy: -730.403
where: short stacking energy: -307.404
Base-Backbone interact. energy: 4.198
local terms energy: -343.589667
where:
bonds (distance) C4'-P energy: -58.552
bonds (distance) P-C4' energy: -74.634
flat angles C4'-P-C4' energy: -78.512
flat angles P-C4'-P energy: -44.330
tors. eta vs tors. theta energy: -87.563
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: 5, replica: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -997.503769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.503769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.503769 (E_RNA)
where:
Base-Base interactions energy: -657.060
where: short stacking energy: -274.697
Base-Backbone interact. energy: -2.000
local terms energy: -338.443700
where:
bonds (distance) C4'-P energy: -76.774
bonds (distance) P-C4' energy: -63.770
flat angles C4'-P-C4' energy: -75.998
flat angles P-C4'-P energy: -52.302
tors. eta vs tors. theta energy: -69.600
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: 5
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -943.909308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.909308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.909308 (E_RNA)
where:
Base-Base interactions energy: -643.511
where: short stacking energy: -264.253
Base-Backbone interact. energy: -0.991
local terms energy: -299.407232
where:
bonds (distance) C4'-P energy: -59.761
bonds (distance) P-C4' energy: -74.763
flat angles C4'-P-C4' energy: -62.239
flat angles P-C4'-P energy: -35.259
tors. eta vs tors. theta energy: -67.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -708.587407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.587407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.587407 (E_RNA)
where:
Base-Base interactions energy: -418.865
where: short stacking energy: -183.033
Base-Backbone interact. energy: -1.384
local terms energy: -288.338793
where:
bonds (distance) C4'-P energy: -69.434
bonds (distance) P-C4' energy: -72.548
flat angles C4'-P-C4' energy: -76.133
flat angles P-C4'-P energy: -29.113
tors. eta vs tors. theta energy: -41.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -560.458481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.458481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.458481 (E_RNA)
where:
Base-Base interactions energy: -323.233
where: short stacking energy: -159.559
Base-Backbone interact. energy: -1.017
local terms energy: -236.208004
where:
bonds (distance) C4'-P energy: -62.311
bonds (distance) P-C4' energy: -50.314
flat angles C4'-P-C4' energy: -62.015
flat angles P-C4'-P energy: -40.468
tors. eta vs tors. theta energy: -21.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -337.355980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.355980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.355980 (E_RNA)
where:
Base-Base interactions energy: -113.821
where: short stacking energy: -85.785
Base-Backbone interact. energy: 0.599
local terms energy: -224.134207
where:
bonds (distance) C4'-P energy: -64.315
bonds (distance) P-C4' energy: -70.420
flat angles C4'-P-C4' energy: -55.226
flat angles P-C4'-P energy: -45.697
tors. eta vs tors. theta energy: 11.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -286.545403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.545403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.545403 (E_RNA)
where:
Base-Base interactions energy: -95.698
where: short stacking energy: -73.515
Base-Backbone interact. energy: -1.011
local terms energy: -189.836291
where:
bonds (distance) C4'-P energy: -51.556
bonds (distance) P-C4' energy: -57.351
flat angles C4'-P-C4' energy: -62.884
flat angles P-C4'-P energy: -33.491
tors. eta vs tors. theta energy: 15.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1272.620423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.620423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.620423 (E_RNA)
where:
Base-Base interactions energy: -865.164
where: short stacking energy: -356.463
Base-Backbone interact. energy: -0.769
local terms energy: -406.687846
where:
bonds (distance) C4'-P energy: -78.448
bonds (distance) P-C4' energy: -81.138
flat angles C4'-P-C4' energy: -85.520
flat angles P-C4'-P energy: -50.287
tors. eta vs tors. theta energy: -111.295
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: 1
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1171.520472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.520472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.520472 (E_RNA)
where:
Base-Base interactions energy: -796.275
where: short stacking energy: -333.788
Base-Backbone interact. energy: -1.471
local terms energy: -373.774842
where:
bonds (distance) C4'-P energy: -62.920
bonds (distance) P-C4' energy: -66.415
flat angles C4'-P-C4' energy: -80.604
flat angles P-C4'-P energy: -58.734
tors. eta vs tors. theta energy: -105.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1147.018963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.018963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.018963 (E_RNA)
where:
Base-Base interactions energy: -776.878
where: short stacking energy: -320.177
Base-Backbone interact. energy: -1.616
local terms energy: -368.524998
where:
bonds (distance) C4'-P energy: -65.490
bonds (distance) P-C4' energy: -81.048
flat angles C4'-P-C4' energy: -79.306
flat angles P-C4'-P energy: -46.581
tors. eta vs tors. theta energy: -96.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1029.972904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.972904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.972904 (E_RNA)
where:
Base-Base interactions energy: -705.061
where: short stacking energy: -311.684
Base-Backbone interact. energy: -1.301
local terms energy: -323.611006
where:
bonds (distance) C4'-P energy: -64.505
bonds (distance) P-C4' energy: -59.865
flat angles C4'-P-C4' energy: -67.959
flat angles P-C4'-P energy: -38.676
tors. eta vs tors. theta energy: -92.606
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: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1014.920138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.920138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.920138 (E_RNA)
where:
Base-Base interactions energy: -666.937
where: short stacking energy: -278.345
Base-Backbone interact. energy: -2.370
local terms energy: -345.612595
where:
bonds (distance) C4'-P energy: -68.341
bonds (distance) P-C4' energy: -74.096
flat angles C4'-P-C4' energy: -74.034
flat angles P-C4'-P energy: -49.080
tors. eta vs tors. theta energy: -80.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -908.361472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.361472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.361472 (E_RNA)
where:
Base-Base interactions energy: -613.160
where: short stacking energy: -254.112
Base-Backbone interact. energy: 1.919
local terms energy: -297.120476
where:
bonds (distance) C4'-P energy: -61.875
bonds (distance) P-C4' energy: -56.709
flat angles C4'-P-C4' energy: -71.554
flat angles P-C4'-P energy: -29.826
tors. eta vs tors. theta energy: -77.157
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: 10
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -763.759715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.759715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.759715 (E_RNA)
where:
Base-Base interactions energy: -472.977
where: short stacking energy: -229.098
Base-Backbone interact. energy: 0.638
local terms energy: -291.420776
where:
bonds (distance) C4'-P energy: -62.747
bonds (distance) P-C4' energy: -62.264
flat angles C4'-P-C4' energy: -68.725
flat angles P-C4'-P energy: -46.402
tors. eta vs tors. theta energy: -51.283
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: 4
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -556.144837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.144837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.144837 (E_RNA)
where:
Base-Base interactions energy: -311.848
where: short stacking energy: -157.799
Base-Backbone interact. energy: -1.723
local terms energy: -242.574013
where:
bonds (distance) C4'-P energy: -50.152
bonds (distance) P-C4' energy: -68.968
flat angles C4'-P-C4' energy: -61.761
flat angles P-C4'-P energy: -37.486
tors. eta vs tors. theta energy: -24.207
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: 6
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -380.540196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.540196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.540196 (E_RNA)
where:
Base-Base interactions energy: -162.375
where: short stacking energy: -136.601
Base-Backbone interact. energy: -0.849
local terms energy: -217.316553
where:
bonds (distance) C4'-P energy: -60.672
bonds (distance) P-C4' energy: -64.884
flat angles C4'-P-C4' energy: -49.195
flat angles P-C4'-P energy: -29.661
tors. eta vs tors. theta energy: -12.905
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: 10, replica: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -279.117286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.117286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.117286 (E_RNA)
where:
Base-Base interactions energy: -97.688
where: short stacking energy: -69.056
Base-Backbone interact. energy: 3.479
local terms energy: -184.908273
where:
bonds (distance) C4'-P energy: -51.695
bonds (distance) P-C4' energy: -66.458
flat angles C4'-P-C4' energy: -51.512
flat angles P-C4'-P energy: -33.842
tors. eta vs tors. theta energy: 18.600
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: 9
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1261.472037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.472037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.472037 (E_RNA)
where:
Base-Base interactions energy: -868.634
where: short stacking energy: -370.555
Base-Backbone interact. energy: -1.648
local terms energy: -391.190100
where:
bonds (distance) C4'-P energy: -78.833
bonds (distance) P-C4' energy: -73.238
flat angles C4'-P-C4' energy: -77.763
flat angles P-C4'-P energy: -49.193
tors. eta vs tors. theta energy: -112.163
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: 1
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1190.307311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.307311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.307311 (E_RNA)
where:
Base-Base interactions energy: -804.616
where: short stacking energy: -367.342
Base-Backbone interact. energy: -1.946
local terms energy: -383.745443
where:
bonds (distance) C4'-P energy: -67.627
bonds (distance) P-C4' energy: -82.007
flat angles C4'-P-C4' energy: -82.895
flat angles P-C4'-P energy: -43.197
tors. eta vs tors. theta energy: -108.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1108.845716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.845716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.845716 (E_RNA)
where:
Base-Base interactions energy: -757.883
where: short stacking energy: -321.102
Base-Backbone interact. energy: 4.056
local terms energy: -355.019212
where:
bonds (distance) C4'-P energy: -62.099
bonds (distance) P-C4' energy: -78.447
flat angles C4'-P-C4' energy: -81.427
flat angles P-C4'-P energy: -48.681
tors. eta vs tors. theta energy: -84.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1058.744199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.744199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.744199 (E_RNA)
where:
Base-Base interactions energy: -712.553
where: short stacking energy: -309.087
Base-Backbone interact. energy: -1.423
local terms energy: -344.768047
where:
bonds (distance) C4'-P energy: -71.173
bonds (distance) P-C4' energy: -68.189
flat angles C4'-P-C4' energy: -74.450
flat angles P-C4'-P energy: -42.683
tors. eta vs tors. theta energy: -88.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -982.171895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.171895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.171895 (E_RNA)
where:
Base-Base interactions energy: -648.721
where: short stacking energy: -283.047
Base-Backbone interact. energy: -3.514
local terms energy: -329.936767
where:
bonds (distance) C4'-P energy: -62.852
bonds (distance) P-C4' energy: -73.797
flat angles C4'-P-C4' energy: -66.288
flat angles P-C4'-P energy: -52.083
tors. eta vs tors. theta energy: -74.918
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: 5
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -901.846495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.846495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.846495 (E_RNA)
where:
Base-Base interactions energy: -594.196
where: short stacking energy: -254.695
Base-Backbone interact. energy: -1.706
local terms energy: -305.944176
where:
bonds (distance) C4'-P energy: -52.173
bonds (distance) P-C4' energy: -71.798
flat angles C4'-P-C4' energy: -73.074
flat angles P-C4'-P energy: -42.861
tors. eta vs tors. theta energy: -66.039
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: 202
Temperature: 1.200000
Total energy: -741.431394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.431394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.431394 (E_RNA)
where:
Base-Base interactions energy: -440.840
where: short stacking energy: -218.556
Base-Backbone interact. energy: -0.339
local terms energy: -300.251698
where:
bonds (distance) C4'-P energy: -62.338
bonds (distance) P-C4' energy: -64.209
flat angles C4'-P-C4' energy: -71.062
flat angles P-C4'-P energy: -49.511
tors. eta vs tors. theta energy: -53.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -537.539937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.539937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.539937 (E_RNA)
where:
Base-Base interactions energy: -307.435
where: short stacking energy: -146.483
Base-Backbone interact. energy: -3.058
local terms energy: -227.046746
where:
bonds (distance) C4'-P energy: -56.357
bonds (distance) P-C4' energy: -65.646
flat angles C4'-P-C4' energy: -47.224
flat angles P-C4'-P energy: -33.069
tors. eta vs tors. theta energy: -24.751
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: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -316.168562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.168562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.168562 (E_RNA)
where:
Base-Base interactions energy: -103.698
where: short stacking energy: -87.678
Base-Backbone interact. energy: 9.594
local terms energy: -222.065173
where:
bonds (distance) C4'-P energy: -64.653
bonds (distance) P-C4' energy: -73.374
flat angles C4'-P-C4' energy: -38.308
flat angles P-C4'-P energy: -45.801
tors. eta vs tors. theta energy: 0.071
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: 6
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -292.459535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.459535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.459535 (E_RNA)
where:
Base-Base interactions energy: -98.615
where: short stacking energy: -85.808
Base-Backbone interact. energy: 0.920
local terms energy: -194.764190
where:
bonds (distance) C4'-P energy: -64.977
bonds (distance) P-C4' energy: -78.010
flat angles C4'-P-C4' energy: -46.959
flat angles P-C4'-P energy: -21.980
tors. eta vs tors. theta energy: 17.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1271.910209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.910209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.910209 (E_RNA)
where:
Base-Base interactions energy: -875.854
where: short stacking energy: -380.104
Base-Backbone interact. energy: -0.887
local terms energy: -395.169582
where:
bonds (distance) C4'-P energy: -70.989
bonds (distance) P-C4' energy: -69.743
flat angles C4'-P-C4' energy: -83.563
flat angles P-C4'-P energy: -51.966
tors. eta vs tors. theta energy: -118.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1175.766864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.766864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.766864 (E_RNA)
where:
Base-Base interactions energy: -780.264
where: short stacking energy: -333.038
Base-Backbone interact. energy: -1.090
local terms energy: -394.412244
where:
bonds (distance) C4'-P energy: -66.031
bonds (distance) P-C4' energy: -82.166
flat angles C4'-P-C4' energy: -70.526
flat angles P-C4'-P energy: -64.169
tors. eta vs tors. theta energy: -111.521
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: 3, replica: 7
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1154.511365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.511365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.511365 (E_RNA)
where:
Base-Base interactions energy: -797.764
where: short stacking energy: -326.134
Base-Backbone interact. energy: 0.434
local terms energy: -357.181415
where:
bonds (distance) C4'-P energy: -62.809
bonds (distance) P-C4' energy: -76.343
flat angles C4'-P-C4' energy: -79.704
flat angles P-C4'-P energy: -49.224
tors. eta vs tors. theta energy: -89.101
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: 3
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1100.742913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.742913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.742913 (E_RNA)
where:
Base-Base interactions energy: -716.450
where: short stacking energy: -331.088
Base-Backbone interact. energy: -1.033
local terms energy: -383.259164
where:
bonds (distance) C4'-P energy: -66.326
bonds (distance) P-C4' energy: -72.639
flat angles C4'-P-C4' energy: -81.828
flat angles P-C4'-P energy: -56.763
tors. eta vs tors. theta energy: -105.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1008.384925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.384925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.384925 (E_RNA)
where:
Base-Base interactions energy: -686.351
where: short stacking energy: -292.761
Base-Backbone interact. energy: -1.583
local terms energy: -320.450277
where:
bonds (distance) C4'-P energy: -61.490
bonds (distance) P-C4' energy: -71.231
flat angles C4'-P-C4' energy: -71.184
flat angles P-C4'-P energy: -42.626
tors. eta vs tors. theta energy: -73.920
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: 6, replica: 5
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -894.770615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.770615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.770615 (E_RNA)
where:
Base-Base interactions energy: -587.040
where: short stacking energy: -244.914
Base-Backbone interact. energy: -1.631
local terms energy: -306.099459
where:
bonds (distance) C4'-P energy: -55.794
bonds (distance) P-C4' energy: -65.604
flat angles C4'-P-C4' energy: -72.224
flat angles P-C4'-P energy: -48.527
tors. eta vs tors. theta energy: -63.951
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: 7, replica: 10
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -706.456194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.456194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.456194 (E_RNA)
where:
Base-Base interactions energy: -427.779
where: short stacking energy: -206.418
Base-Backbone interact. energy: -1.405
local terms energy: -277.272049
where:
bonds (distance) C4'-P energy: -67.769
bonds (distance) P-C4' energy: -46.926
flat angles C4'-P-C4' energy: -56.776
flat angles P-C4'-P energy: -49.469
tors. eta vs tors. theta energy: -56.332
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: 4
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -550.393754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.393754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.393754 (E_RNA)
where:
Base-Base interactions energy: -300.795
where: short stacking energy: -146.467
Base-Backbone interact. energy: 0.119
local terms energy: -249.717487
where:
bonds (distance) C4'-P energy: -57.918
bonds (distance) P-C4' energy: -71.330
flat angles C4'-P-C4' energy: -54.479
flat angles P-C4'-P energy: -37.640
tors. eta vs tors. theta energy: -28.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -326.305360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.305360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.305360 (E_RNA)
where:
Base-Base interactions energy: -115.999
where: short stacking energy: -96.813
Base-Backbone interact. energy: -1.981
local terms energy: -208.325157
where:
bonds (distance) C4'-P energy: -65.012
bonds (distance) P-C4' energy: -68.372
flat angles C4'-P-C4' energy: -54.860
flat angles P-C4'-P energy: -23.765
tors. eta vs tors. theta energy: 3.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -280.228990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.228990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.228990 (E_RNA)
where:
Base-Base interactions energy: -116.730
where: short stacking energy: -89.513
Base-Backbone interact. energy: -1.698
local terms energy: -161.800684
where:
bonds (distance) C4'-P energy: -57.725
bonds (distance) P-C4' energy: -56.834
flat angles C4'-P-C4' energy: -43.529
flat angles P-C4'-P energy: -24.634
tors. eta vs tors. theta energy: 20.921
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: 1, replica: 9
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1266.063595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.063595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.063595 (E_RNA)
where:
Base-Base interactions energy: -874.808
where: short stacking energy: -364.985
Base-Backbone interact. energy: -2.070
local terms energy: -389.185521
where:
bonds (distance) C4'-P energy: -71.267
bonds (distance) P-C4' energy: -70.872
flat angles C4'-P-C4' energy: -78.788
flat angles P-C4'-P energy: -57.556
tors. eta vs tors. theta energy: -110.704
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: 1
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1186.202281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.202281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.202281 (E_RNA)
where:
Base-Base interactions energy: -794.592
where: short stacking energy: -350.036
Base-Backbone interact. energy: -1.554
local terms energy: -390.055985
where:
bonds (distance) C4'-P energy: -65.028
bonds (distance) P-C4' energy: -73.717
flat angles C4'-P-C4' energy: -83.011
flat angles P-C4'-P energy: -54.452
tors. eta vs tors. theta energy: -113.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1140.816450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.816450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.816450 (E_RNA)
where:
Base-Base interactions energy: -797.535
where: short stacking energy: -321.839
Base-Backbone interact. energy: -0.380
local terms energy: -342.901244
where:
bonds (distance) C4'-P energy: -60.735
bonds (distance) P-C4' energy: -76.290
flat angles C4'-P-C4' energy: -73.481
flat angles P-C4'-P energy: -49.287
tors. eta vs tors. theta energy: -83.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1082.462296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.462296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.462296 (E_RNA)
where:
Base-Base interactions energy: -710.570
where: short stacking energy: -313.789
Base-Backbone interact. energy: 2.336
local terms energy: -374.228866
where:
bonds (distance) C4'-P energy: -68.546
bonds (distance) P-C4' energy: -82.350
flat angles C4'-P-C4' energy: -84.038
flat angles P-C4'-P energy: -37.458
tors. eta vs tors. theta energy: -101.837
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: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1005.614628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.614628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.614628 (E_RNA)
where:
Base-Base interactions energy: -671.208
where: short stacking energy: -279.217
Base-Backbone interact. energy: 0.841
local terms energy: -335.247955
where:
bonds (distance) C4'-P energy: -71.718
bonds (distance) P-C4' energy: -60.968
flat angles C4'-P-C4' energy: -72.222
flat angles P-C4'-P energy: -53.880
tors. eta vs tors. theta energy: -76.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -908.020377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.020377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.020377 (E_RNA)
where:
Base-Base interactions energy: -593.910
where: short stacking energy: -238.064
Base-Backbone interact. energy: -2.470
local terms energy: -311.640423
where:
bonds (distance) C4'-P energy: -58.037
bonds (distance) P-C4' energy: -72.952
flat angles C4'-P-C4' energy: -63.846
flat angles P-C4'-P energy: -48.096
tors. eta vs tors. theta energy: -68.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -760.542247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.542247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.542247 (E_RNA)
where:
Base-Base interactions energy: -470.322
where: short stacking energy: -214.220
Base-Backbone interact. energy: -0.271
local terms energy: -289.949194
where:
bonds (distance) C4'-P energy: -56.524
bonds (distance) P-C4' energy: -65.767
flat angles C4'-P-C4' energy: -67.638
flat angles P-C4'-P energy: -50.139
tors. eta vs tors. theta energy: -49.881
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: 4
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -576.965297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.965297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.965297 (E_RNA)
where:
Base-Base interactions energy: -326.444
where: short stacking energy: -172.042
Base-Backbone interact. energy: 2.298
local terms energy: -252.819524
where:
bonds (distance) C4'-P energy: -54.621
bonds (distance) P-C4' energy: -77.940
flat angles C4'-P-C4' energy: -52.016
flat angles P-C4'-P energy: -34.767
tors. eta vs tors. theta energy: -33.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -330.407265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.407265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.407265 (E_RNA)
where:
Base-Base interactions energy: -108.393
where: short stacking energy: -81.706
Base-Backbone interact. energy: -2.501
local terms energy: -219.513337
where:
bonds (distance) C4'-P energy: -55.683
bonds (distance) P-C4' energy: -64.409
flat angles C4'-P-C4' energy: -62.762
flat angles P-C4'-P energy: -48.045
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: 10, replica: 6
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -297.332608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.332608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.332608 (E_RNA)
where:
Base-Base interactions energy: -80.968
where: short stacking energy: -63.738
Base-Backbone interact. energy: 0.967
local terms energy: -217.332077
where:
bonds (distance) C4'-P energy: -63.721
bonds (distance) P-C4' energy: -64.094
flat angles C4'-P-C4' energy: -64.161
flat angles P-C4'-P energy: -34.175
tors. eta vs tors. theta energy: 8.819
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: 1, replica: 9
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1281.149843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.149843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.149843 (E_RNA)
where:
Base-Base interactions energy: -882.305
where: short stacking energy: -378.290
Base-Backbone interact. energy: 0.549
local terms energy: -399.393687
where:
bonds (distance) C4'-P energy: -68.136
bonds (distance) P-C4' energy: -75.679
flat angles C4'-P-C4' energy: -85.998
flat angles P-C4'-P energy: -54.390
tors. eta vs tors. theta energy: -115.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1183.869054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.869054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.869054 (E_RNA)
where:
Base-Base interactions energy: -794.137
where: short stacking energy: -350.407
Base-Backbone interact. energy: 0.112
local terms energy: -389.843462
where:
bonds (distance) C4'-P energy: -68.415
bonds (distance) P-C4' energy: -69.897
flat angles C4'-P-C4' energy: -83.277
flat angles P-C4'-P energy: -54.443
tors. eta vs tors. theta energy: -113.811
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: 7
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1122.171051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.171051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.171051 (E_RNA)
where:
Base-Base interactions energy: -757.221
where: short stacking energy: -315.671
Base-Backbone interact. energy: -3.185
local terms energy: -361.765130
where:
bonds (distance) C4'-P energy: -68.396
bonds (distance) P-C4' energy: -68.265
flat angles C4'-P-C4' energy: -84.284
flat angles P-C4'-P energy: -51.965
tors. eta vs tors. theta energy: -88.856
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: 2
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1036.379497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.379497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.379497 (E_RNA)
where:
Base-Base interactions energy: -701.943
where: short stacking energy: -284.646
Base-Backbone interact. energy: -0.969
local terms energy: -333.467004
where:
bonds (distance) C4'-P energy: -68.983
bonds (distance) P-C4' energy: -68.191
flat angles C4'-P-C4' energy: -65.824
flat angles P-C4'-P energy: -47.644
tors. eta vs tors. theta energy: -82.825
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: 3
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1042.761869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.761869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.761869 (E_RNA)
where:
Base-Base interactions energy: -683.104
where: short stacking energy: -298.210
Base-Backbone interact. energy: -1.883
local terms energy: -357.775195
where:
bonds (distance) C4'-P energy: -79.038
bonds (distance) P-C4' energy: -62.196
flat angles C4'-P-C4' energy: -73.965
flat angles P-C4'-P energy: -51.283
tors. eta vs tors. theta energy: -91.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -923.689698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.689698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.689698 (E_RNA)
where:
Base-Base interactions energy: -621.002
where: short stacking energy: -242.875
Base-Backbone interact. energy: -0.081
local terms energy: -302.606410
where:
bonds (distance) C4'-P energy: -57.864
bonds (distance) P-C4' energy: -80.191
flat angles C4'-P-C4' energy: -55.315
flat angles P-C4'-P energy: -39.959
tors. eta vs tors. theta energy: -69.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -724.693133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.693133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.693133 (E_RNA)
where:
Base-Base interactions energy: -444.619
where: short stacking energy: -199.260
Base-Backbone interact. energy: 0.509
local terms energy: -280.583095
where:
bonds (distance) C4'-P energy: -67.030
bonds (distance) P-C4' energy: -58.359
flat angles C4'-P-C4' energy: -69.980
flat angles P-C4'-P energy: -41.058
tors. eta vs tors. theta energy: -44.156
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: 4
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -517.208135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.208135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.208135 (E_RNA)
where:
Base-Base interactions energy: -298.642
where: short stacking energy: -155.791
Base-Backbone interact. energy: -1.367
local terms energy: -217.199746
where:
bonds (distance) C4'-P energy: -60.397
bonds (distance) P-C4' energy: -68.109
flat angles C4'-P-C4' energy: -46.080
flat angles P-C4'-P energy: -31.154
tors. eta vs tors. theta energy: -11.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -313.975421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.975421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.975421 (E_RNA)
where:
Base-Base interactions energy: -112.206
where: short stacking energy: -83.960
Base-Backbone interact. energy: -0.423
local terms energy: -201.346341
where:
bonds (distance) C4'-P energy: -63.249
bonds (distance) P-C4' energy: -70.055
flat angles C4'-P-C4' energy: -46.529
flat angles P-C4'-P energy: -28.742
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: 10, replica: 6
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -321.048850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.048850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.048850 (E_RNA)
where:
Base-Base interactions energy: -106.087
where: short stacking energy: -76.289
Base-Backbone interact. energy: -1.299
local terms energy: -213.662941
where:
bonds (distance) C4'-P energy: -55.481
bonds (distance) P-C4' energy: -71.064
flat angles C4'-P-C4' energy: -42.359
flat angles P-C4'-P energy: -38.223
tors. eta vs tors. theta energy: -6.536
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: 206
Temperature: 0.900000
Total energy: -1283.652685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.652685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.652685 (E_RNA)
where:
Base-Base interactions energy: -869.133
where: short stacking energy: -385.962
Base-Backbone interact. energy: -0.345
local terms energy: -414.174072
where:
bonds (distance) C4'-P energy: -73.028
bonds (distance) P-C4' energy: -81.193
flat angles C4'-P-C4' energy: -82.097
flat angles P-C4'-P energy: -60.703
tors. eta vs tors. theta energy: -117.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1190.378886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.378886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.378886 (E_RNA)
where:
Base-Base interactions energy: -811.572
where: short stacking energy: -347.321
Base-Backbone interact. energy: 0.243
local terms energy: -379.050495
where:
bonds (distance) C4'-P energy: -55.841
bonds (distance) P-C4' energy: -78.776
flat angles C4'-P-C4' energy: -79.760
flat angles P-C4'-P energy: -57.255
tors. eta vs tors. theta energy: -107.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1138.907427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.907427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.907427 (E_RNA)
where:
Base-Base interactions energy: -774.747
where: short stacking energy: -318.835
Base-Backbone interact. energy: -1.301
local terms energy: -362.859927
where:
bonds (distance) C4'-P energy: -67.337
bonds (distance) P-C4' energy: -76.109
flat angles C4'-P-C4' energy: -71.719
flat angles P-C4'-P energy: -58.161
tors. eta vs tors. theta energy: -89.534
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: 4, replica: 2
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -1058.933987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.933987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.933987 (E_RNA)
where:
Base-Base interactions energy: -717.064
where: short stacking energy: -310.258
Base-Backbone interact. energy: 2.988
local terms energy: -344.857873
where:
bonds (distance) C4'-P energy: -70.805
bonds (distance) P-C4' energy: -59.590
flat angles C4'-P-C4' energy: -80.570
flat angles P-C4'-P energy: -45.277
tors. eta vs tors. theta energy: -88.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -962.742665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.742665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.742665 (E_RNA)
where:
Base-Base interactions energy: -638.151
where: short stacking energy: -276.703
Base-Backbone interact. energy: -2.431
local terms energy: -322.161115
where:
bonds (distance) C4'-P energy: -68.562
bonds (distance) P-C4' energy: -54.589
flat angles C4'-P-C4' energy: -80.449
flat angles P-C4'-P energy: -38.963
tors. eta vs tors. theta energy: -79.598
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: 206
Temperature: 1.150000
Total energy: -939.320227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.320227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.320227 (E_RNA)
where:
Base-Base interactions energy: -612.576
where: short stacking energy: -255.282
Base-Backbone interact. energy: 1.671
local terms energy: -328.415224
where:
bonds (distance) C4'-P energy: -55.470
bonds (distance) P-C4' energy: -70.355
flat angles C4'-P-C4' energy: -78.558
flat angles P-C4'-P energy: -52.926
tors. eta vs tors. theta energy: -71.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -701.721250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.721250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.721250 (E_RNA)
where:
Base-Base interactions energy: -423.435
where: short stacking energy: -201.590
Base-Backbone interact. energy: -2.071
local terms energy: -276.215641
where:
bonds (distance) C4'-P energy: -66.428
bonds (distance) P-C4' energy: -63.846
flat angles C4'-P-C4' energy: -67.343
flat angles P-C4'-P energy: -44.595
tors. eta vs tors. theta energy: -34.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -533.070738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.070738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.070738 (E_RNA)
where:
Base-Base interactions energy: -294.351
where: short stacking energy: -141.104
Base-Backbone interact. energy: 3.021
local terms energy: -241.740827
where:
bonds (distance) C4'-P energy: -53.109
bonds (distance) P-C4' energy: -64.186
flat angles C4'-P-C4' energy: -60.787
flat angles P-C4'-P energy: -42.966
tors. eta vs tors. theta energy: -20.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -348.667564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.667564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.667564 (E_RNA)
where:
Base-Base interactions energy: -150.579
where: short stacking energy: -122.774
Base-Backbone interact. energy: 1.294
local terms energy: -199.383372
where:
bonds (distance) C4'-P energy: -45.251
bonds (distance) P-C4' energy: -69.736
flat angles C4'-P-C4' energy: -63.475
flat angles P-C4'-P energy: -21.020
tors. eta vs tors. theta energy: 0.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -304.840991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.840991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.840991 (E_RNA)
where:
Base-Base interactions energy: -103.610
where: short stacking energy: -96.978
Base-Backbone interact. energy: -2.167
local terms energy: -199.064604
where:
bonds (distance) C4'-P energy: -68.374
bonds (distance) P-C4' energy: -49.678
flat angles C4'-P-C4' energy: -59.055
flat angles P-C4'-P energy: -24.498
tors. eta vs tors. theta energy: 2.541
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: 207
Temperature: 0.900000
Total energy: -1304.075179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.075179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.075179 (E_RNA)
where:
Base-Base interactions energy: -885.939
where: short stacking energy: -382.081
Base-Backbone interact. energy: -0.725
local terms energy: -417.411582
where:
bonds (distance) C4'-P energy: -77.419
bonds (distance) P-C4' energy: -73.381
flat angles C4'-P-C4' energy: -84.788
flat angles P-C4'-P energy: -60.759
tors. eta vs tors. theta energy: -121.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1169.927855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.927855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.927855 (E_RNA)
where:
Base-Base interactions energy: -780.912
where: short stacking energy: -351.584
Base-Backbone interact. energy: -0.141
local terms energy: -388.874999
where:
bonds (distance) C4'-P energy: -68.873
bonds (distance) P-C4' energy: -71.105
flat angles C4'-P-C4' energy: -80.480
flat angles P-C4'-P energy: -58.499
tors. eta vs tors. theta energy: -109.918
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: 207
Temperature: 1.000000
Total energy: -1123.467189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.467189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.467189 (E_RNA)
where:
Base-Base interactions energy: -769.890
where: short stacking energy: -327.718
Base-Backbone interact. energy: -2.567
local terms energy: -351.010697
where:
bonds (distance) C4'-P energy: -67.592
bonds (distance) P-C4' energy: -67.911
flat angles C4'-P-C4' energy: -77.286
flat angles P-C4'-P energy: -46.055
tors. eta vs tors. theta energy: -92.167
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: 2
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1076.144687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.144687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.144687 (E_RNA)
where:
Base-Base interactions energy: -736.085
where: short stacking energy: -320.992
Base-Backbone interact. energy: -0.698
local terms energy: -339.362553
where:
bonds (distance) C4'-P energy: -55.322
bonds (distance) P-C4' energy: -77.161
flat angles C4'-P-C4' energy: -59.206
flat angles P-C4'-P energy: -54.365
tors. eta vs tors. theta energy: -93.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -944.011851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.011851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.011851 (E_RNA)
where:
Base-Base interactions energy: -609.497
where: short stacking energy: -272.597
Base-Backbone interact. energy: -1.735
local terms energy: -332.779867
where:
bonds (distance) C4'-P energy: -61.769
bonds (distance) P-C4' energy: -75.099
flat angles C4'-P-C4' energy: -73.113
flat angles P-C4'-P energy: -45.381
tors. eta vs tors. theta energy: -77.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -942.913191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.913191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.913191 (E_RNA)
where:
Base-Base interactions energy: -639.613
where: short stacking energy: -267.001
Base-Backbone interact. energy: -0.869
local terms energy: -302.431965
where:
bonds (distance) C4'-P energy: -73.911
bonds (distance) P-C4' energy: -71.961
flat angles C4'-P-C4' energy: -59.401
flat angles P-C4'-P energy: -30.351
tors. eta vs tors. theta energy: -66.808
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: 10
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -695.236509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.236509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.236509 (E_RNA)
where:
Base-Base interactions energy: -421.948
where: short stacking energy: -172.626
Base-Backbone interact. energy: -1.408
local terms energy: -271.879786
where:
bonds (distance) C4'-P energy: -62.985
bonds (distance) P-C4' energy: -84.255
flat angles C4'-P-C4' energy: -60.345
flat angles P-C4'-P energy: -39.183
tors. eta vs tors. theta energy: -25.112
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: 4
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -556.831173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.831173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.831173 (E_RNA)
where:
Base-Base interactions energy: -297.349
where: short stacking energy: -154.751
Base-Backbone interact. energy: 3.064
local terms energy: -262.546279
where:
bonds (distance) C4'-P energy: -66.760
bonds (distance) P-C4' energy: -72.599
flat angles C4'-P-C4' energy: -67.114
flat angles P-C4'-P energy: -29.114
tors. eta vs tors. theta energy: -26.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -392.765588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.765588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.765588 (E_RNA)
where:
Base-Base interactions energy: -169.864
where: short stacking energy: -108.427
Base-Backbone interact. energy: -0.180
local terms energy: -222.721750
where:
bonds (distance) C4'-P energy: -58.486
bonds (distance) P-C4' energy: -77.862
flat angles C4'-P-C4' energy: -69.430
flat angles P-C4'-P energy: -22.376
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: 10, replica: 6
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -282.501092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.501092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.501092 (E_RNA)
where:
Base-Base interactions energy: -98.640
where: short stacking energy: -76.723
Base-Backbone interact. energy: 0.491
local terms energy: -184.351975
where:
bonds (distance) C4'-P energy: -63.171
bonds (distance) P-C4' energy: -59.200
flat angles C4'-P-C4' energy: -47.655
flat angles P-C4'-P energy: -25.061
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: 1, replica: 9
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1252.674593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.674593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.674593 (E_RNA)
where:
Base-Base interactions energy: -849.275
where: short stacking energy: -373.495
Base-Backbone interact. energy: 0.490
local terms energy: -403.889930
where:
bonds (distance) C4'-P energy: -71.567
bonds (distance) P-C4' energy: -75.115
flat angles C4'-P-C4' energy: -84.231
flat angles P-C4'-P energy: -58.461
tors. eta vs tors. theta energy: -114.516
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: 1
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1196.138583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.138583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.138583 (E_RNA)
where:
Base-Base interactions energy: -794.903
where: short stacking energy: -367.575
Base-Backbone interact. energy: -2.110
local terms energy: -399.125933
where:
bonds (distance) C4'-P energy: -73.170
bonds (distance) P-C4' energy: -74.294
flat angles C4'-P-C4' energy: -86.170
flat angles P-C4'-P energy: -55.294
tors. eta vs tors. theta energy: -110.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1118.892795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.892795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.892795 (E_RNA)
where:
Base-Base interactions energy: -763.283
where: short stacking energy: -322.510
Base-Backbone interact. energy: -0.590
local terms energy: -355.019405
where:
bonds (distance) C4'-P energy: -59.975
bonds (distance) P-C4' energy: -72.122
flat angles C4'-P-C4' energy: -78.130
flat angles P-C4'-P energy: -48.792
tors. eta vs tors. theta energy: -96.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1072.244358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.244358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.244358 (E_RNA)
where:
Base-Base interactions energy: -730.481
where: short stacking energy: -312.756
Base-Backbone interact. energy: -0.671
local terms energy: -341.092066
where:
bonds (distance) C4'-P energy: -65.461
bonds (distance) P-C4' energy: -72.782
flat angles C4'-P-C4' energy: -77.854
flat angles P-C4'-P energy: -44.845
tors. eta vs tors. theta energy: -80.151
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: 3
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -978.226836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.226836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.226836 (E_RNA)
where:
Base-Base interactions energy: -659.883
where: short stacking energy: -286.216
Base-Backbone interact. energy: -0.350
local terms energy: -317.994151
where:
bonds (distance) C4'-P energy: -60.388
bonds (distance) P-C4' energy: -67.196
flat angles C4'-P-C4' energy: -63.446
flat angles P-C4'-P energy: -46.254
tors. eta vs tors. theta energy: -80.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -891.186949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.186949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.186949 (E_RNA)
where:
Base-Base interactions energy: -588.948
where: short stacking energy: -242.485
Base-Backbone interact. energy: -2.241
local terms energy: -299.998128
where:
bonds (distance) C4'-P energy: -55.882
bonds (distance) P-C4' energy: -72.878
flat angles C4'-P-C4' energy: -65.927
flat angles P-C4'-P energy: -43.162
tors. eta vs tors. theta energy: -62.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -689.055680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.055680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.055680 (E_RNA)
where:
Base-Base interactions energy: -411.585
where: short stacking energy: -198.246
Base-Backbone interact. energy: 0.845
local terms energy: -278.315898
where:
bonds (distance) C4'-P energy: -70.300
bonds (distance) P-C4' energy: -68.075
flat angles C4'-P-C4' energy: -61.553
flat angles P-C4'-P energy: -39.075
tors. eta vs tors. theta energy: -39.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -593.152024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.152024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.152024 (E_RNA)
where:
Base-Base interactions energy: -345.025
where: short stacking energy: -148.842
Base-Backbone interact. energy: -0.105
local terms energy: -248.022033
where:
bonds (distance) C4'-P energy: -60.899
bonds (distance) P-C4' energy: -61.247
flat angles C4'-P-C4' energy: -60.907
flat angles P-C4'-P energy: -34.998
tors. eta vs tors. theta energy: -29.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -475.846577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.846577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.846577 (E_RNA)
where:
Base-Base interactions energy: -254.745
where: short stacking energy: -127.180
Base-Backbone interact. energy: 0.122
local terms energy: -221.223019
where:
bonds (distance) C4'-P energy: -63.237
bonds (distance) P-C4' energy: -59.436
flat angles C4'-P-C4' energy: -55.033
flat angles P-C4'-P energy: -30.825
tors. eta vs tors. theta energy: -12.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -286.805221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.805221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.805221 (E_RNA)
where:
Base-Base interactions energy: -72.195
where: short stacking energy: -58.658
Base-Backbone interact. energy: 0.257
local terms energy: -214.868011
where:
bonds (distance) C4'-P energy: -65.855
bonds (distance) P-C4' energy: -70.458
flat angles C4'-P-C4' energy: -60.687
flat angles P-C4'-P energy: -38.217
tors. eta vs tors. theta energy: 20.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1261.423304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.423304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.423304 (E_RNA)
where:
Base-Base interactions energy: -872.111
where: short stacking energy: -374.858
Base-Backbone interact. energy: -0.609
local terms energy: -388.703331
where:
bonds (distance) C4'-P energy: -63.969
bonds (distance) P-C4' energy: -62.404
flat angles C4'-P-C4' energy: -87.267
flat angles P-C4'-P energy: -59.605
tors. eta vs tors. theta energy: -115.458
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: 7
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1155.987654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.987654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.987654 (E_RNA)
where:
Base-Base interactions energy: -799.164
where: short stacking energy: -312.286
Base-Backbone interact. energy: -0.987
local terms energy: -355.836806
where:
bonds (distance) C4'-P energy: -68.008
bonds (distance) P-C4' energy: -72.024
flat angles C4'-P-C4' energy: -76.277
flat angles P-C4'-P energy: -49.361
tors. eta vs tors. theta energy: -90.166
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: 209
Temperature: 1.000000
Total energy: -1163.031926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.031926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.031926 (E_RNA)
where:
Base-Base interactions energy: -774.507
where: short stacking energy: -358.341
Base-Backbone interact. energy: -1.556
local terms energy: -386.968628
where:
bonds (distance) C4'-P energy: -62.102
bonds (distance) P-C4' energy: -81.187
flat angles C4'-P-C4' energy: -79.773
flat angles P-C4'-P energy: -51.304
tors. eta vs tors. theta energy: -112.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1054.262717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.262717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.262717 (E_RNA)
where:
Base-Base interactions energy: -719.925
where: short stacking energy: -321.704
Base-Backbone interact. energy: -2.880
local terms energy: -331.457605
where:
bonds (distance) C4'-P energy: -62.089
bonds (distance) P-C4' energy: -60.583
flat angles C4'-P-C4' energy: -77.736
flat angles P-C4'-P energy: -32.965
tors. eta vs tors. theta energy: -98.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1000.070149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.070149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.070149 (E_RNA)
where:
Base-Base interactions energy: -660.562
where: short stacking energy: -284.008
Base-Backbone interact. energy: -1.212
local terms energy: -338.296792
where:
bonds (distance) C4'-P energy: -61.770
bonds (distance) P-C4' energy: -64.811
flat angles C4'-P-C4' energy: -78.630
flat angles P-C4'-P energy: -49.100
tors. eta vs tors. theta energy: -83.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -908.865167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.865167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.865167 (E_RNA)
where:
Base-Base interactions energy: -584.404
where: short stacking energy: -246.842
Base-Backbone interact. energy: 1.385
local terms energy: -325.846181
where:
bonds (distance) C4'-P energy: -53.796
bonds (distance) P-C4' energy: -78.605
flat angles C4'-P-C4' energy: -73.053
flat angles P-C4'-P energy: -49.847
tors. eta vs tors. theta energy: -70.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -684.315351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.315351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.315351 (E_RNA)
where:
Base-Base interactions energy: -411.090
where: short stacking energy: -185.970
Base-Backbone interact. energy: 0.679
local terms energy: -273.904398
where:
bonds (distance) C4'-P energy: -60.114
bonds (distance) P-C4' energy: -70.134
flat angles C4'-P-C4' energy: -62.298
flat angles P-C4'-P energy: -47.694
tors. eta vs tors. theta energy: -33.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -568.152271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.152271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.152271 (E_RNA)
where:
Base-Base interactions energy: -326.599
where: short stacking energy: -168.442
Base-Backbone interact. energy: 7.342
local terms energy: -248.895482
where:
bonds (distance) C4'-P energy: -74.251
bonds (distance) P-C4' energy: -57.503
flat angles C4'-P-C4' energy: -64.620
flat angles P-C4'-P energy: -36.802
tors. eta vs tors. theta energy: -15.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -485.160507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.160507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.160507 (E_RNA)
where:
Base-Base interactions energy: -269.323
where: short stacking energy: -128.676
Base-Backbone interact. energy: -4.215
local terms energy: -211.622906
where:
bonds (distance) C4'-P energy: -50.328
bonds (distance) P-C4' energy: -63.587
flat angles C4'-P-C4' energy: -49.453
flat angles P-C4'-P energy: -47.959
tors. eta vs tors. theta energy: -0.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -284.503772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.503772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.503772 (E_RNA)
where:
Base-Base interactions energy: -100.974
where: short stacking energy: -91.582
Base-Backbone interact. energy: 1.934
local terms energy: -185.464505
where:
bonds (distance) C4'-P energy: -56.001
bonds (distance) P-C4' energy: -72.727
flat angles C4'-P-C4' energy: -62.726
flat angles P-C4'-P energy: -15.625
tors. eta vs tors. theta energy: 21.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1255.139589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.139589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.139589 (E_RNA)
where:
Base-Base interactions energy: -866.483
where: short stacking energy: -370.224
Base-Backbone interact. energy: 2.480
local terms energy: -391.136469
where:
bonds (distance) C4'-P energy: -65.116
bonds (distance) P-C4' energy: -69.653
flat angles C4'-P-C4' energy: -89.142
flat angles P-C4'-P energy: -54.983
tors. eta vs tors. theta energy: -112.242
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: 7
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1144.229440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.229440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.229440 (E_RNA)
where:
Base-Base interactions energy: -771.532
where: short stacking energy: -317.969
Base-Backbone interact. energy: -0.806
local terms energy: -371.891403
where:
bonds (distance) C4'-P energy: -75.366
bonds (distance) P-C4' energy: -60.794
flat angles C4'-P-C4' energy: -86.009
flat angles P-C4'-P energy: -61.523
tors. eta vs tors. theta energy: -88.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1192.333764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.333764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.333764 (E_RNA)
where:
Base-Base interactions energy: -798.709
where: short stacking energy: -362.526
Base-Backbone interact. energy: -2.756
local terms energy: -390.868982
where:
bonds (distance) C4'-P energy: -67.640
bonds (distance) P-C4' energy: -84.780
flat angles C4'-P-C4' energy: -83.978
flat angles P-C4'-P energy: -56.296
tors. eta vs tors. theta energy: -98.175
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: 4, replica: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1037.924214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.924214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.924214 (E_RNA)
where:
Base-Base interactions energy: -702.745
where: short stacking energy: -281.291
Base-Backbone interact. energy: -2.172
local terms energy: -333.007736
where:
bonds (distance) C4'-P energy: -72.196
bonds (distance) P-C4' energy: -64.758
flat angles C4'-P-C4' energy: -80.282
flat angles P-C4'-P energy: -49.490
tors. eta vs tors. theta energy: -66.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -977.854323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.854323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.854323 (E_RNA)
where:
Base-Base interactions energy: -640.202
where: short stacking energy: -261.904
Base-Backbone interact. energy: -1.319
local terms energy: -336.333785
where:
bonds (distance) C4'-P energy: -67.541
bonds (distance) P-C4' energy: -72.876
flat angles C4'-P-C4' energy: -80.821
flat angles P-C4'-P energy: -51.623
tors. eta vs tors. theta energy: -63.473
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: 5
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -941.113124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.113124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.113124 (E_RNA)
where:
Base-Base interactions energy: -632.103
where: short stacking energy: -282.452
Base-Backbone interact. energy: -0.159
local terms energy: -308.851598
where:
bonds (distance) C4'-P energy: -61.831
bonds (distance) P-C4' energy: -64.557
flat angles C4'-P-C4' energy: -70.038
flat angles P-C4'-P energy: -40.354
tors. eta vs tors. theta energy: -72.071
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: 210
Temperature: 1.200000
Total energy: -664.892513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.892513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.892513 (E_RNA)
where:
Base-Base interactions energy: -408.720
where: short stacking energy: -184.858
Base-Backbone interact. energy: -0.888
local terms energy: -255.285117
where:
bonds (distance) C4'-P energy: -48.600
bonds (distance) P-C4' energy: -66.106
flat angles C4'-P-C4' energy: -51.675
flat angles P-C4'-P energy: -51.922
tors. eta vs tors. theta energy: -36.982
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: 210
Temperature: 1.250000
Total energy: -643.502278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.502278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.502278 (E_RNA)
where:
Base-Base interactions energy: -380.619
where: short stacking energy: -167.052
Base-Backbone interact. energy: 0.772
local terms energy: -263.655968
where:
bonds (distance) C4'-P energy: -67.979
bonds (distance) P-C4' energy: -67.941
flat angles C4'-P-C4' energy: -53.975
flat angles P-C4'-P energy: -43.537
tors. eta vs tors. theta energy: -30.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -318.633041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.633041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.633041 (E_RNA)
where:
Base-Base interactions energy: -119.093
where: short stacking energy: -87.788
Base-Backbone interact. energy: -0.807
local terms energy: -198.733378
where:
bonds (distance) C4'-P energy: -55.604
bonds (distance) P-C4' energy: -74.714
flat angles C4'-P-C4' energy: -42.942
flat angles P-C4'-P energy: -40.743
tors. eta vs tors. theta energy: 15.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -466.278429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.278429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.278429 (E_RNA)
where:
Base-Base interactions energy: -243.319
where: short stacking energy: -128.489
Base-Backbone interact. energy: -0.732
local terms energy: -222.227699
where:
bonds (distance) C4'-P energy: -53.741
bonds (distance) P-C4' energy: -65.266
flat angles C4'-P-C4' energy: -52.390
flat angles P-C4'-P energy: -36.129
tors. eta vs tors. theta energy: -14.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1263.386137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.386137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.386137 (E_RNA)
where:
Base-Base interactions energy: -841.517
where: short stacking energy: -366.819
Base-Backbone interact. energy: -1.475
local terms energy: -420.393543
where:
bonds (distance) C4'-P energy: -78.602
bonds (distance) P-C4' energy: -78.322
flat angles C4'-P-C4' energy: -87.225
flat angles P-C4'-P energy: -56.541
tors. eta vs tors. theta energy: -119.704
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: 1
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1227.851728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.851728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.851728 (E_RNA)
where:
Base-Base interactions energy: -839.835
where: short stacking energy: -374.705
Base-Backbone interact. energy: 2.057
local terms energy: -390.073971
where:
bonds (distance) C4'-P energy: -72.812
bonds (distance) P-C4' energy: -72.292
flat angles C4'-P-C4' energy: -76.624
flat angles P-C4'-P energy: -52.520
tors. eta vs tors. theta energy: -115.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1127.522070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.522070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.522070 (E_RNA)
where:
Base-Base interactions energy: -777.497
where: short stacking energy: -322.248
Base-Backbone interact. energy: -1.891
local terms energy: -348.134707
where:
bonds (distance) C4'-P energy: -53.006
bonds (distance) P-C4' energy: -67.982
flat angles C4'-P-C4' energy: -82.665
flat angles P-C4'-P energy: -49.602
tors. eta vs tors. theta energy: -94.880
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: 211
Temperature: 1.050000
Total energy: -1028.696258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.696258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.696258 (E_RNA)
where:
Base-Base interactions energy: -682.801
where: short stacking energy: -303.559
Base-Backbone interact. energy: -2.197
local terms energy: -343.697771
where:
bonds (distance) C4'-P energy: -66.044
bonds (distance) P-C4' energy: -61.150
flat angles C4'-P-C4' energy: -81.353
flat angles P-C4'-P energy: -50.812
tors. eta vs tors. theta energy: -84.338
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: 5, replica: 3
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -962.216931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.216931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.216931 (E_RNA)
where:
Base-Base interactions energy: -627.941
where: short stacking energy: -267.356
Base-Backbone interact. energy: 1.682
local terms energy: -335.958345
where:
bonds (distance) C4'-P energy: -68.272
bonds (distance) P-C4' energy: -55.633
flat angles C4'-P-C4' energy: -85.100
flat angles P-C4'-P energy: -47.977
tors. eta vs tors. theta energy: -78.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -926.694455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.694455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.694455 (E_RNA)
where:
Base-Base interactions energy: -632.277
where: short stacking energy: -272.715
Base-Backbone interact. energy: -3.708
local terms energy: -290.710009
where:
bonds (distance) C4'-P energy: -62.280
bonds (distance) P-C4' energy: -68.712
flat angles C4'-P-C4' energy: -67.653
flat angles P-C4'-P energy: -31.838
tors. eta vs tors. theta energy: -60.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -752.584042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.584042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.584042 (E_RNA)
where:
Base-Base interactions energy: -459.219
where: short stacking energy: -206.589
Base-Backbone interact. energy: -2.007
local terms energy: -291.358609
where:
bonds (distance) C4'-P energy: -63.550
bonds (distance) P-C4' energy: -71.146
flat angles C4'-P-C4' energy: -58.576
flat angles P-C4'-P energy: -46.480
tors. eta vs tors. theta energy: -51.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -679.873399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.873399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.873399 (E_RNA)
where:
Base-Base interactions energy: -405.460
where: short stacking energy: -176.978
Base-Backbone interact. energy: 0.789
local terms energy: -275.202600
where:
bonds (distance) C4'-P energy: -69.690
bonds (distance) P-C4' energy: -65.297
flat angles C4'-P-C4' energy: -58.157
flat angles P-C4'-P energy: -48.027
tors. eta vs tors. theta energy: -34.031
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: 6
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -311.291564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.291564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.291564 (E_RNA)
where:
Base-Base interactions energy: -102.694
where: short stacking energy: -74.101
Base-Backbone interact. energy: 0.622
local terms energy: -209.219179
where:
bonds (distance) C4'-P energy: -67.555
bonds (distance) P-C4' energy: -64.651
flat angles C4'-P-C4' energy: -57.979
flat angles P-C4'-P energy: -33.093
tors. eta vs tors. theta energy: 14.059
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: 8
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -435.622388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.622388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.622388 (E_RNA)
where:
Base-Base interactions energy: -238.162
where: short stacking energy: -121.764
Base-Backbone interact. energy: -1.293
local terms energy: -196.167111
where:
bonds (distance) C4'-P energy: -61.592
bonds (distance) P-C4' energy: -54.627
flat angles C4'-P-C4' energy: -52.488
flat angles P-C4'-P energy: -19.094
tors. eta vs tors. theta energy: -8.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1278.624525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.624525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.624525 (E_RNA)
where:
Base-Base interactions energy: -881.712
where: short stacking energy: -364.362
Base-Backbone interact. energy: -0.568
local terms energy: -396.343892
where:
bonds (distance) C4'-P energy: -80.597
bonds (distance) P-C4' energy: -58.833
flat angles C4'-P-C4' energy: -81.218
flat angles P-C4'-P energy: -61.813
tors. eta vs tors. theta energy: -113.883
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: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1198.888532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.888532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.888532 (E_RNA)
where:
Base-Base interactions energy: -802.056
where: short stacking energy: -348.305
Base-Backbone interact. energy: -0.644
local terms energy: -396.189078
where:
bonds (distance) C4'-P energy: -77.518
bonds (distance) P-C4' energy: -63.146
flat angles C4'-P-C4' energy: -77.547
flat angles P-C4'-P energy: -61.905
tors. eta vs tors. theta energy: -116.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1156.921291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.921291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.921291 (E_RNA)
where:
Base-Base interactions energy: -783.723
where: short stacking energy: -317.510
Base-Backbone interact. energy: -3.057
local terms energy: -370.140954
where:
bonds (distance) C4'-P energy: -61.634
bonds (distance) P-C4' energy: -76.880
flat angles C4'-P-C4' energy: -80.880
flat angles P-C4'-P energy: -51.781
tors. eta vs tors. theta energy: -98.966
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: 4, replica: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1056.347566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.347566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.347566 (E_RNA)
where:
Base-Base interactions energy: -718.255
where: short stacking energy: -303.907
Base-Backbone interact. energy: -0.825
local terms energy: -337.267741
where:
bonds (distance) C4'-P energy: -65.053
bonds (distance) P-C4' energy: -67.574
flat angles C4'-P-C4' energy: -81.466
flat angles P-C4'-P energy: -40.841
tors. eta vs tors. theta energy: -82.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -964.198756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.198756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.198756 (E_RNA)
where:
Base-Base interactions energy: -620.667
where: short stacking energy: -298.718
Base-Backbone interact. energy: -1.338
local terms energy: -342.193692
where:
bonds (distance) C4'-P energy: -66.832
bonds (distance) P-C4' energy: -66.858
flat angles C4'-P-C4' energy: -74.630
flat angles P-C4'-P energy: -54.062
tors. eta vs tors. theta energy: -79.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -893.633589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.633589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.633589 (E_RNA)
where:
Base-Base interactions energy: -591.597
where: short stacking energy: -250.940
Base-Backbone interact. energy: -1.768
local terms energy: -300.268954
where:
bonds (distance) C4'-P energy: -66.857
bonds (distance) P-C4' energy: -59.676
flat angles C4'-P-C4' energy: -63.094
flat angles P-C4'-P energy: -46.500
tors. eta vs tors. theta energy: -64.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -721.650064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.650064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.650064 (E_RNA)
where:
Base-Base interactions energy: -433.022
where: short stacking energy: -203.154
Base-Backbone interact. energy: -3.688
local terms energy: -284.939783
where:
bonds (distance) C4'-P energy: -60.497
bonds (distance) P-C4' energy: -69.177
flat angles C4'-P-C4' energy: -59.501
flat angles P-C4'-P energy: -48.728
tors. eta vs tors. theta energy: -47.037
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: 4
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -622.775481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.775481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.775481 (E_RNA)
where:
Base-Base interactions energy: -372.880
where: short stacking energy: -180.465
Base-Backbone interact. energy: -0.824
local terms energy: -249.071117
where:
bonds (distance) C4'-P energy: -45.631
bonds (distance) P-C4' energy: -62.734
flat angles C4'-P-C4' energy: -63.661
flat angles P-C4'-P energy: -44.372
tors. eta vs tors. theta energy: -32.673
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: 9, replica: 8
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -466.200054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.200054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.200054 (E_RNA)
where:
Base-Base interactions energy: -249.384
where: short stacking energy: -138.485
Base-Backbone interact. energy: -0.605
local terms energy: -216.211242
where:
bonds (distance) C4'-P energy: -61.242
bonds (distance) P-C4' energy: -58.889
flat angles C4'-P-C4' energy: -59.108
flat angles P-C4'-P energy: -24.193
tors. eta vs tors. theta energy: -12.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -367.521867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.521867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.521867 (E_RNA)
where:
Base-Base interactions energy: -136.812
where: short stacking energy: -69.958
Base-Backbone interact. energy: -0.040
local terms energy: -230.669738
where:
bonds (distance) C4'-P energy: -65.303
bonds (distance) P-C4' energy: -71.683
flat angles C4'-P-C4' energy: -65.462
flat angles P-C4'-P energy: -40.316
tors. eta vs tors. theta energy: 12.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1267.636857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.636857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.636857 (E_RNA)
where:
Base-Base interactions energy: -864.783
where: short stacking energy: -373.144
Base-Backbone interact. energy: -1.439
local terms energy: -401.414648
where:
bonds (distance) C4'-P energy: -69.460
bonds (distance) P-C4' energy: -74.107
flat angles C4'-P-C4' energy: -88.287
flat angles P-C4'-P energy: -58.298
tors. eta vs tors. theta energy: -111.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1189.563562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.563562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.563562 (E_RNA)
where:
Base-Base interactions energy: -809.221
where: short stacking energy: -356.221
Base-Backbone interact. energy: -2.091
local terms energy: -378.251549
where:
bonds (distance) C4'-P energy: -72.995
bonds (distance) P-C4' energy: -54.994
flat angles C4'-P-C4' energy: -82.788
flat angles P-C4'-P energy: -62.246
tors. eta vs tors. theta energy: -105.229
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: 7
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1095.364539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.364539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.364539 (E_RNA)
where:
Base-Base interactions energy: -773.513
where: short stacking energy: -317.790
Base-Backbone interact. energy: 0.905
local terms energy: -322.756291
where:
bonds (distance) C4'-P energy: -63.057
bonds (distance) P-C4' energy: -67.889
flat angles C4'-P-C4' energy: -70.021
flat angles P-C4'-P energy: -39.471
tors. eta vs tors. theta energy: -82.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -1068.505354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.505354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.505354 (E_RNA)
where:
Base-Base interactions energy: -714.396
where: short stacking energy: -289.318
Base-Backbone interact. energy: -0.716
local terms energy: -353.393117
where:
bonds (distance) C4'-P energy: -64.628
bonds (distance) P-C4' energy: -76.902
flat angles C4'-P-C4' energy: -79.528
flat angles P-C4'-P energy: -53.707
tors. eta vs tors. theta energy: -78.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -953.230435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.230435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.230435 (E_RNA)
where:
Base-Base interactions energy: -636.083
where: short stacking energy: -278.549
Base-Backbone interact. energy: 0.419
local terms energy: -317.566248
where:
bonds (distance) C4'-P energy: -68.485
bonds (distance) P-C4' energy: -63.520
flat angles C4'-P-C4' energy: -77.206
flat angles P-C4'-P energy: -32.806
tors. eta vs tors. theta energy: -75.549
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: 213
Temperature: 1.150000
Total energy: -928.899113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.899113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.899113 (E_RNA)
where:
Base-Base interactions energy: -625.273
where: short stacking energy: -260.191
Base-Backbone interact. energy: -1.160
local terms energy: -302.466757
where:
bonds (distance) C4'-P energy: -58.415
bonds (distance) P-C4' energy: -69.475
flat angles C4'-P-C4' energy: -63.348
flat angles P-C4'-P energy: -40.757
tors. eta vs tors. theta energy: -70.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -692.507742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.507742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.507742 (E_RNA)
where:
Base-Base interactions energy: -399.413
where: short stacking energy: -171.491
Base-Backbone interact. energy: -1.711
local terms energy: -291.383608
where:
bonds (distance) C4'-P energy: -63.591
bonds (distance) P-C4' energy: -66.592
flat angles C4'-P-C4' energy: -67.287
flat angles P-C4'-P energy: -51.516
tors. eta vs tors. theta energy: -42.398
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: 4
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -645.595616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.595616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.595616 (E_RNA)
where:
Base-Base interactions energy: -367.600
where: short stacking energy: -175.127
Base-Backbone interact. energy: -1.305
local terms energy: -276.690973
where:
bonds (distance) C4'-P energy: -67.822
bonds (distance) P-C4' energy: -74.198
flat angles C4'-P-C4' energy: -65.166
flat angles P-C4'-P energy: -35.010
tors. eta vs tors. theta energy: -34.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -477.658341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.658341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.658341 (E_RNA)
where:
Base-Base interactions energy: -241.305
where: short stacking energy: -135.539
Base-Backbone interact. energy: -0.625
local terms energy: -235.727627
where:
bonds (distance) C4'-P energy: -69.034
bonds (distance) P-C4' energy: -67.332
flat angles C4'-P-C4' energy: -54.482
flat angles P-C4'-P energy: -26.151
tors. eta vs tors. theta energy: -18.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -291.114634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.114634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.114634 (E_RNA)
where:
Base-Base interactions energy: -102.810
where: short stacking energy: -81.950
Base-Backbone interact. energy: 1.084
local terms energy: -189.388669
where:
bonds (distance) C4'-P energy: -54.456
bonds (distance) P-C4' energy: -69.648
flat angles C4'-P-C4' energy: -39.642
flat angles P-C4'-P energy: -35.453
tors. eta vs tors. theta energy: 9.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1238.844021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.844021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.844021 (E_RNA)
where:
Base-Base interactions energy: -837.923
where: short stacking energy: -354.731
Base-Backbone interact. energy: 2.109
local terms energy: -403.029987
where:
bonds (distance) C4'-P energy: -73.084
bonds (distance) P-C4' energy: -71.674
flat angles C4'-P-C4' energy: -91.074
flat angles P-C4'-P energy: -56.712
tors. eta vs tors. theta energy: -110.485
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: 1
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1176.871753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.871753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.871753 (E_RNA)
where:
Base-Base interactions energy: -794.314
where: short stacking energy: -342.728
Base-Backbone interact. energy: -2.984
local terms energy: -379.574032
where:
bonds (distance) C4'-P energy: -73.605
bonds (distance) P-C4' energy: -73.921
flat angles C4'-P-C4' energy: -75.877
flat angles P-C4'-P energy: -54.954
tors. eta vs tors. theta energy: -101.217
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: 7
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1133.199198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.199198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.199198 (E_RNA)
where:
Base-Base interactions energy: -767.273
where: short stacking energy: -330.543
Base-Backbone interact. energy: -2.022
local terms energy: -363.903867
where:
bonds (distance) C4'-P energy: -62.444
bonds (distance) P-C4' energy: -75.078
flat angles C4'-P-C4' energy: -73.117
flat angles P-C4'-P energy: -52.552
tors. eta vs tors. theta energy: -100.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1073.518136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.518136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.518136 (E_RNA)
where:
Base-Base interactions energy: -723.907
where: short stacking energy: -311.725
Base-Backbone interact. energy: -0.741
local terms energy: -348.869318
where:
bonds (distance) C4'-P energy: -62.766
bonds (distance) P-C4' energy: -72.983
flat angles C4'-P-C4' energy: -72.337
flat angles P-C4'-P energy: -46.152
tors. eta vs tors. theta energy: -94.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -984.753809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.753809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.753809 (E_RNA)
where:
Base-Base interactions energy: -647.083
where: short stacking energy: -279.027
Base-Backbone interact. energy: -1.862
local terms energy: -335.808960
where:
bonds (distance) C4'-P energy: -58.379
bonds (distance) P-C4' energy: -69.901
flat angles C4'-P-C4' energy: -76.630
flat angles P-C4'-P energy: -40.022
tors. eta vs tors. theta energy: -90.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -952.903991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.903991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.903991 (E_RNA)
where:
Base-Base interactions energy: -643.909
where: short stacking energy: -281.500
Base-Backbone interact. energy: -1.424
local terms energy: -307.571079
where:
bonds (distance) C4'-P energy: -45.254
bonds (distance) P-C4' energy: -63.512
flat angles C4'-P-C4' energy: -78.605
flat angles P-C4'-P energy: -41.403
tors. eta vs tors. theta energy: -78.797
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: 4
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -623.295488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.295488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.295488 (E_RNA)
where:
Base-Base interactions energy: -353.801
where: short stacking energy: -179.323
Base-Backbone interact. energy: -0.948
local terms energy: -268.547135
where:
bonds (distance) C4'-P energy: -64.354
bonds (distance) P-C4' energy: -68.563
flat angles C4'-P-C4' energy: -67.141
flat angles P-C4'-P energy: -39.256
tors. eta vs tors. theta energy: -29.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -696.369792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.369792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.369792 (E_RNA)
where:
Base-Base interactions energy: -432.895
where: short stacking energy: -203.734
Base-Backbone interact. energy: 1.746
local terms energy: -265.220760
where:
bonds (distance) C4'-P energy: -66.853
bonds (distance) P-C4' energy: -60.171
flat angles C4'-P-C4' energy: -53.759
flat angles P-C4'-P energy: -40.039
tors. eta vs tors. theta energy: -44.398
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: 8
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -465.222978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.222978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.222978 (E_RNA)
where:
Base-Base interactions energy: -236.916
where: short stacking energy: -126.299
Base-Backbone interact. energy: 1.337
local terms energy: -229.643961
where:
bonds (distance) C4'-P energy: -70.050
bonds (distance) P-C4' energy: -66.984
flat angles C4'-P-C4' energy: -45.960
flat angles P-C4'-P energy: -45.693
tors. eta vs tors. theta energy: -0.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -322.492092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.492092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.492092 (E_RNA)
where:
Base-Base interactions energy: -127.493
where: short stacking energy: -74.940
Base-Backbone interact. energy: 0.438
local terms energy: -195.437261
where:
bonds (distance) C4'-P energy: -60.110
bonds (distance) P-C4' energy: -62.576
flat angles C4'-P-C4' energy: -48.300
flat angles P-C4'-P energy: -31.080
tors. eta vs tors. theta energy: 6.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1274.374491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.374491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.374491 (E_RNA)
where:
Base-Base interactions energy: -878.690
where: short stacking energy: -381.796
Base-Backbone interact. energy: -0.828
local terms energy: -394.856682
where:
bonds (distance) C4'-P energy: -73.015
bonds (distance) P-C4' energy: -81.106
flat angles C4'-P-C4' energy: -80.270
flat angles P-C4'-P energy: -45.028
tors. eta vs tors. theta energy: -115.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1194.788174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.788174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.788174 (E_RNA)
where:
Base-Base interactions energy: -783.027
where: short stacking energy: -330.455
Base-Backbone interact. energy: -1.444
local terms energy: -410.317632
where:
bonds (distance) C4'-P energy: -77.213
bonds (distance) P-C4' energy: -73.577
flat angles C4'-P-C4' energy: -84.631
flat angles P-C4'-P energy: -65.793
tors. eta vs tors. theta energy: -109.104
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: 7
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1139.035109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.035109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.035109 (E_RNA)
where:
Base-Base interactions energy: -761.720
where: short stacking energy: -287.384
Base-Backbone interact. energy: -0.720
local terms energy: -376.595315
where:
bonds (distance) C4'-P energy: -83.454
bonds (distance) P-C4' energy: -73.533
flat angles C4'-P-C4' energy: -85.616
flat angles P-C4'-P energy: -44.845
tors. eta vs tors. theta energy: -89.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1049.346109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.346109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.346109 (E_RNA)
where:
Base-Base interactions energy: -695.855
where: short stacking energy: -292.551
Base-Backbone interact. energy: -0.993
local terms energy: -352.498494
where:
bonds (distance) C4'-P energy: -71.069
bonds (distance) P-C4' energy: -73.028
flat angles C4'-P-C4' energy: -74.205
flat angles P-C4'-P energy: -54.050
tors. eta vs tors. theta energy: -80.146
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: 5
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -962.945829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.945829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.945829 (E_RNA)
where:
Base-Base interactions energy: -635.405
where: short stacking energy: -280.965
Base-Backbone interact. energy: 5.719
local terms energy: -333.259997
where:
bonds (distance) C4'-P energy: -58.792
bonds (distance) P-C4' energy: -67.967
flat angles C4'-P-C4' energy: -80.588
flat angles P-C4'-P energy: -40.098
tors. eta vs tors. theta energy: -85.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -905.425906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.425906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.425906 (E_RNA)
where:
Base-Base interactions energy: -576.230
where: short stacking energy: -257.008
Base-Backbone interact. energy: -2.480
local terms energy: -326.715837
where:
bonds (distance) C4'-P energy: -72.474
bonds (distance) P-C4' energy: -62.930
flat angles C4'-P-C4' energy: -67.498
flat angles P-C4'-P energy: -53.363
tors. eta vs tors. theta energy: -70.450
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: 4
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -633.590499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.590499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.590499 (E_RNA)
where:
Base-Base interactions energy: -375.458
where: short stacking energy: -178.812
Base-Backbone interact. energy: -1.035
local terms energy: -257.098140
where:
bonds (distance) C4'-P energy: -68.978
bonds (distance) P-C4' energy: -61.090
flat angles C4'-P-C4' energy: -69.599
flat angles P-C4'-P energy: -39.603
tors. eta vs tors. theta energy: -17.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -661.946958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.946958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.946958 (E_RNA)
where:
Base-Base interactions energy: -399.237
where: short stacking energy: -204.791
Base-Backbone interact. energy: 1.405
local terms energy: -264.114824
where:
bonds (distance) C4'-P energy: -67.873
bonds (distance) P-C4' energy: -65.328
flat angles C4'-P-C4' energy: -55.735
flat angles P-C4'-P energy: -33.518
tors. eta vs tors. theta energy: -41.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -511.418638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.418638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.418638 (E_RNA)
where:
Base-Base interactions energy: -296.415
where: short stacking energy: -128.926
Base-Backbone interact. energy: 4.436
local terms energy: -219.439784
where:
bonds (distance) C4'-P energy: -57.100
bonds (distance) P-C4' energy: -64.417
flat angles C4'-P-C4' energy: -53.695
flat angles P-C4'-P energy: -38.282
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: 10, replica: 6
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -313.102938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.102938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.102938 (E_RNA)
where:
Base-Base interactions energy: -116.852
where: short stacking energy: -63.120
Base-Backbone interact. energy: -1.808
local terms energy: -194.442322
where:
bonds (distance) C4'-P energy: -63.640
bonds (distance) P-C4' energy: -64.918
flat angles C4'-P-C4' energy: -52.262
flat angles P-C4'-P energy: -31.223
tors. eta vs tors. theta energy: 17.601
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: 9
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1268.941719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.941719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.941719 (E_RNA)
where:
Base-Base interactions energy: -870.201
where: short stacking energy: -386.354
Base-Backbone interact. energy: -0.294
local terms energy: -398.446735
where:
bonds (distance) C4'-P energy: -75.441
bonds (distance) P-C4' energy: -74.509
flat angles C4'-P-C4' energy: -76.407
flat angles P-C4'-P energy: -55.538
tors. eta vs tors. theta energy: -116.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1189.958881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.958881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.958881 (E_RNA)
where:
Base-Base interactions energy: -797.818
where: short stacking energy: -351.069
Base-Backbone interact. energy: -0.673
local terms energy: -391.467809
where:
bonds (distance) C4'-P energy: -67.579
bonds (distance) P-C4' energy: -75.120
flat angles C4'-P-C4' energy: -79.497
flat angles P-C4'-P energy: -58.692
tors. eta vs tors. theta energy: -110.579
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: 7
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1144.519633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.519633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.519633 (E_RNA)
where:
Base-Base interactions energy: -789.676
where: short stacking energy: -318.043
Base-Backbone interact. energy: -0.647
local terms energy: -354.197063
where:
bonds (distance) C4'-P energy: -66.418
bonds (distance) P-C4' energy: -76.131
flat angles C4'-P-C4' energy: -78.639
flat angles P-C4'-P energy: -43.919
tors. eta vs tors. theta energy: -89.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1074.608374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.608374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.608374 (E_RNA)
where:
Base-Base interactions energy: -731.493
where: short stacking energy: -300.802
Base-Backbone interact. energy: -1.116
local terms energy: -341.999232
where:
bonds (distance) C4'-P energy: -68.519
bonds (distance) P-C4' energy: -64.162
flat angles C4'-P-C4' energy: -78.724
flat angles P-C4'-P energy: -48.532
tors. eta vs tors. theta energy: -82.063
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: 5
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -980.780273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.780273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.780273 (E_RNA)
where:
Base-Base interactions energy: -639.108
where: short stacking energy: -259.520
Base-Backbone interact. energy: -0.890
local terms energy: -340.782570
where:
bonds (distance) C4'-P energy: -71.429
bonds (distance) P-C4' energy: -67.284
flat angles C4'-P-C4' energy: -77.842
flat angles P-C4'-P energy: -41.474
tors. eta vs tors. theta energy: -82.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -912.617572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.617572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.617572 (E_RNA)
where:
Base-Base interactions energy: -619.436
where: short stacking energy: -255.026
Base-Backbone interact. energy: -1.273
local terms energy: -291.908815
where:
bonds (distance) C4'-P energy: -49.677
bonds (distance) P-C4' energy: -65.100
flat angles C4'-P-C4' energy: -70.912
flat angles P-C4'-P energy: -38.781
tors. eta vs tors. theta energy: -67.439
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: 7, replica: 10
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -710.092125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.092125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.092125 (E_RNA)
where:
Base-Base interactions energy: -430.394
where: short stacking energy: -195.616
Base-Backbone interact. energy: -0.631
local terms energy: -279.067550
where:
bonds (distance) C4'-P energy: -60.695
bonds (distance) P-C4' energy: -74.428
flat angles C4'-P-C4' energy: -61.762
flat angles P-C4'-P energy: -42.789
tors. eta vs tors. theta energy: -39.394
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: 4
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -645.858723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.858723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.858723 (E_RNA)
where:
Base-Base interactions energy: -400.523
where: short stacking energy: -180.859
Base-Backbone interact. energy: -0.667
local terms energy: -244.668277
where:
bonds (distance) C4'-P energy: -55.092
bonds (distance) P-C4' energy: -69.067
flat angles C4'-P-C4' energy: -49.668
flat angles P-C4'-P energy: -33.387
tors. eta vs tors. theta energy: -37.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -468.332301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.332301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.332301 (E_RNA)
where:
Base-Base interactions energy: -231.518
where: short stacking energy: -130.157
Base-Backbone interact. energy: 1.735
local terms energy: -238.548532
where:
bonds (distance) C4'-P energy: -57.303
bonds (distance) P-C4' energy: -59.798
flat angles C4'-P-C4' energy: -54.804
flat angles P-C4'-P energy: -48.252
tors. eta vs tors. theta energy: -18.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -283.051077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.051077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.051077 (E_RNA)
where:
Base-Base interactions energy: -94.407
where: short stacking energy: -77.914
Base-Backbone interact. energy: 2.287
local terms energy: -190.931539
where:
bonds (distance) C4'-P energy: -54.319
bonds (distance) P-C4' energy: -56.666
flat angles C4'-P-C4' energy: -60.571
flat angles P-C4'-P energy: -23.470
tors. eta vs tors. theta energy: 4.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1262.065253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.065253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.065253 (E_RNA)
where:
Base-Base interactions energy: -868.836
where: short stacking energy: -379.963
Base-Backbone interact. energy: -0.008
local terms energy: -393.220636
where:
bonds (distance) C4'-P energy: -61.348
bonds (distance) P-C4' energy: -75.720
flat angles C4'-P-C4' energy: -83.367
flat angles P-C4'-P energy: -60.151
tors. eta vs tors. theta energy: -112.634
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: 1
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1204.408324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.408324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.408324 (E_RNA)
where:
Base-Base interactions energy: -800.643
where: short stacking energy: -352.145
Base-Backbone interact. energy: 0.276
local terms energy: -404.041470
where:
bonds (distance) C4'-P energy: -74.993
bonds (distance) P-C4' energy: -83.118
flat angles C4'-P-C4' energy: -77.004
flat angles P-C4'-P energy: -58.338
tors. eta vs tors. theta energy: -110.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1143.618071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.618071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.618071 (E_RNA)
where:
Base-Base interactions energy: -775.469
where: short stacking energy: -299.662
Base-Backbone interact. energy: -0.094
local terms energy: -368.054925
where:
bonds (distance) C4'-P energy: -72.096
bonds (distance) P-C4' energy: -69.229
flat angles C4'-P-C4' energy: -91.545
flat angles P-C4'-P energy: -53.353
tors. eta vs tors. theta energy: -81.832
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: 4, replica: 2
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1142.807044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.807044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.807044 (E_RNA)
where:
Base-Base interactions energy: -777.611
where: short stacking energy: -338.662
Base-Backbone interact. energy: -0.804
local terms energy: -364.391986
where:
bonds (distance) C4'-P energy: -71.738
bonds (distance) P-C4' energy: -75.762
flat angles C4'-P-C4' energy: -74.566
flat angles P-C4'-P energy: -45.300
tors. eta vs tors. theta energy: -97.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -994.757624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.757624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.757624 (E_RNA)
where:
Base-Base interactions energy: -648.223
where: short stacking energy: -289.558
Base-Backbone interact. energy: -1.643
local terms energy: -344.891780
where:
bonds (distance) C4'-P energy: -61.985
bonds (distance) P-C4' energy: -69.575
flat angles C4'-P-C4' energy: -74.690
flat angles P-C4'-P energy: -50.710
tors. eta vs tors. theta energy: -87.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -932.605950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.605950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.605950 (E_RNA)
where:
Base-Base interactions energy: -602.455
where: short stacking energy: -271.017
Base-Backbone interact. energy: 0.872
local terms energy: -331.023597
where:
bonds (distance) C4'-P energy: -70.969
bonds (distance) P-C4' energy: -66.566
flat angles C4'-P-C4' energy: -70.332
flat angles P-C4'-P energy: -47.529
tors. eta vs tors. theta energy: -75.627
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: 10
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -742.288885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.288885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.288885 (E_RNA)
where:
Base-Base interactions energy: -464.656
where: short stacking energy: -216.602
Base-Backbone interact. energy: 1.264
local terms energy: -278.896472
where:
bonds (distance) C4'-P energy: -68.883
bonds (distance) P-C4' energy: -61.155
flat angles C4'-P-C4' energy: -58.516
flat angles P-C4'-P energy: -47.896
tors. eta vs tors. theta energy: -42.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -613.318944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.318944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.318944 (E_RNA)
where:
Base-Base interactions energy: -354.784
where: short stacking energy: -149.373
Base-Backbone interact. energy: -0.988
local terms energy: -257.546873
where:
bonds (distance) C4'-P energy: -58.827
bonds (distance) P-C4' energy: -71.998
flat angles C4'-P-C4' energy: -67.772
flat angles P-C4'-P energy: -32.692
tors. eta vs tors. theta energy: -26.257
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: 217
Temperature: 1.300000
Total energy: -490.618891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.618891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.618891 (E_RNA)
where:
Base-Base interactions energy: -241.333
where: short stacking energy: -117.079
Base-Backbone interact. energy: -0.709
local terms energy: -248.577347
where:
bonds (distance) C4'-P energy: -59.848
bonds (distance) P-C4' energy: -69.862
flat angles C4'-P-C4' energy: -58.572
flat angles P-C4'-P energy: -51.288
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: 10, replica: 6
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -327.729413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.729413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.729413 (E_RNA)
where:
Base-Base interactions energy: -107.632
where: short stacking energy: -79.272
Base-Backbone interact. energy: -1.146
local terms energy: -218.950763
where:
bonds (distance) C4'-P energy: -68.895
bonds (distance) P-C4' energy: -66.867
flat angles C4'-P-C4' energy: -58.123
flat angles P-C4'-P energy: -29.578
tors. eta vs tors. theta energy: 4.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1264.921623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.921623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.921623 (E_RNA)
where:
Base-Base interactions energy: -863.068
where: short stacking energy: -384.093
Base-Backbone interact. energy: 0.703
local terms energy: -402.557006
where:
bonds (distance) C4'-P energy: -72.452
bonds (distance) P-C4' energy: -84.203
flat angles C4'-P-C4' energy: -77.826
flat angles P-C4'-P energy: -54.656
tors. eta vs tors. theta energy: -113.420
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: 1
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1179.832804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.832804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.832804 (E_RNA)
where:
Base-Base interactions energy: -783.821
where: short stacking energy: -361.297
Base-Backbone interact. energy: -2.726
local terms energy: -393.285420
where:
bonds (distance) C4'-P energy: -69.967
bonds (distance) P-C4' energy: -72.436
flat angles C4'-P-C4' energy: -88.191
flat angles P-C4'-P energy: -51.682
tors. eta vs tors. theta energy: -111.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1180.114089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.114089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.114089 (E_RNA)
where:
Base-Base interactions energy: -819.359
where: short stacking energy: -329.052
Base-Backbone interact. energy: -0.819
local terms energy: -359.935720
where:
bonds (distance) C4'-P energy: -70.706
bonds (distance) P-C4' energy: -75.798
flat angles C4'-P-C4' energy: -69.721
flat angles P-C4'-P energy: -53.430
tors. eta vs tors. theta energy: -90.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1091.745142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.745142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.745142 (E_RNA)
where:
Base-Base interactions energy: -751.082
where: short stacking energy: -309.815
Base-Backbone interact. energy: -1.326
local terms energy: -339.336922
where:
bonds (distance) C4'-P energy: -60.287
bonds (distance) P-C4' energy: -81.839
flat angles C4'-P-C4' energy: -72.614
flat angles P-C4'-P energy: -45.257
tors. eta vs tors. theta energy: -79.341
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: 5, replica: 5
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -996.022023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.022023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.022023 (E_RNA)
where:
Base-Base interactions energy: -656.035
where: short stacking energy: -288.412
Base-Backbone interact. energy: 0.875
local terms energy: -340.861784
where:
bonds (distance) C4'-P energy: -67.808
bonds (distance) P-C4' energy: -77.910
flat angles C4'-P-C4' energy: -69.042
flat angles P-C4'-P energy: -44.924
tors. eta vs tors. theta energy: -81.178
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: 3
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -936.573742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.573742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.573742 (E_RNA)
where:
Base-Base interactions energy: -608.228
where: short stacking energy: -252.435
Base-Backbone interact. energy: 0.442
local terms energy: -328.787707
where:
bonds (distance) C4'-P energy: -68.191
bonds (distance) P-C4' energy: -70.963
flat angles C4'-P-C4' energy: -60.421
flat angles P-C4'-P energy: -53.068
tors. eta vs tors. theta energy: -76.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -753.827204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.827204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.827204 (E_RNA)
where:
Base-Base interactions energy: -480.683
where: short stacking energy: -213.324
Base-Backbone interact. energy: 0.035
local terms energy: -273.178792
where:
bonds (distance) C4'-P energy: -58.567
bonds (distance) P-C4' energy: -60.614
flat angles C4'-P-C4' energy: -72.530
flat angles P-C4'-P energy: -23.302
tors. eta vs tors. theta energy: -58.166
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: 4
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -676.001326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.001326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.001326 (E_RNA)
where:
Base-Base interactions energy: -423.433
where: short stacking energy: -201.400
Base-Backbone interact. energy: 2.233
local terms energy: -254.802114
where:
bonds (distance) C4'-P energy: -57.621
bonds (distance) P-C4' energy: -58.602
flat angles C4'-P-C4' energy: -66.006
flat angles P-C4'-P energy: -30.198
tors. eta vs tors. theta energy: -42.375
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: 8
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -468.952201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.952201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.952201 (E_RNA)
where:
Base-Base interactions energy: -235.789
where: short stacking energy: -118.571
Base-Backbone interact. energy: 1.260
local terms energy: -234.423493
where:
bonds (distance) C4'-P energy: -76.484
bonds (distance) P-C4' energy: -74.415
flat angles C4'-P-C4' energy: -45.987
flat angles P-C4'-P energy: -32.098
tors. eta vs tors. theta energy: -5.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -308.702812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.702812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.702812 (E_RNA)
where:
Base-Base interactions energy: -109.311
where: short stacking energy: -85.909
Base-Backbone interact. energy: -1.139
local terms energy: -198.253237
where:
bonds (distance) C4'-P energy: -57.062
bonds (distance) P-C4' energy: -54.754
flat angles C4'-P-C4' energy: -53.766
flat angles P-C4'-P energy: -30.068
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: 1, replica: 9
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1272.929236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.929236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.929236 (E_RNA)
where:
Base-Base interactions energy: -857.745
where: short stacking energy: -381.368
Base-Backbone interact. energy: -2.550
local terms energy: -412.634636
where:
bonds (distance) C4'-P energy: -77.782
bonds (distance) P-C4' energy: -73.833
flat angles C4'-P-C4' energy: -81.099
flat angles P-C4'-P energy: -60.901
tors. eta vs tors. theta energy: -119.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1201.203247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.203247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.203247 (E_RNA)
where:
Base-Base interactions energy: -829.606
where: short stacking energy: -344.829
Base-Backbone interact. energy: -0.719
local terms energy: -370.877695
where:
bonds (distance) C4'-P energy: -67.408
bonds (distance) P-C4' energy: -73.582
flat angles C4'-P-C4' energy: -75.040
flat angles P-C4'-P energy: -55.086
tors. eta vs tors. theta energy: -99.761
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: 3, replica: 1
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1165.415597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.415597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.415597 (E_RNA)
where:
Base-Base interactions energy: -779.027
where: short stacking energy: -355.462
Base-Backbone interact. energy: -1.042
local terms energy: -385.346415
where:
bonds (distance) C4'-P energy: -72.325
bonds (distance) P-C4' energy: -59.827
flat angles C4'-P-C4' energy: -82.288
flat angles P-C4'-P energy: -53.154
tors. eta vs tors. theta energy: -117.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1083.870755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.870755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.870755 (E_RNA)
where:
Base-Base interactions energy: -747.771
where: short stacking energy: -314.989
Base-Backbone interact. energy: 0.025
local terms energy: -336.125032
where:
bonds (distance) C4'-P energy: -51.515
bonds (distance) P-C4' energy: -63.633
flat angles C4'-P-C4' energy: -73.466
flat angles P-C4'-P energy: -55.804
tors. eta vs tors. theta energy: -91.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1011.114673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.114673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.114673 (E_RNA)
where:
Base-Base interactions energy: -674.524
where: short stacking energy: -293.473
Base-Backbone interact. energy: -0.896
local terms energy: -335.694550
where:
bonds (distance) C4'-P energy: -58.410
bonds (distance) P-C4' energy: -85.234
flat angles C4'-P-C4' energy: -69.245
flat angles P-C4'-P energy: -35.677
tors. eta vs tors. theta energy: -87.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -928.141772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.141772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.141772 (E_RNA)
where:
Base-Base interactions energy: -604.522
where: short stacking energy: -273.044
Base-Backbone interact. energy: -1.803
local terms energy: -321.817027
where:
bonds (distance) C4'-P energy: -67.946
bonds (distance) P-C4' energy: -71.811
flat angles C4'-P-C4' energy: -70.630
flat angles P-C4'-P energy: -35.297
tors. eta vs tors. theta energy: -76.134
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: 10
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -731.749918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.749918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.749918 (E_RNA)
where:
Base-Base interactions energy: -445.160
where: short stacking energy: -208.368
Base-Backbone interact. energy: 1.773
local terms energy: -288.362729
where:
bonds (distance) C4'-P energy: -60.397
bonds (distance) P-C4' energy: -58.764
flat angles C4'-P-C4' energy: -62.101
flat angles P-C4'-P energy: -58.303
tors. eta vs tors. theta energy: -48.798
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: 4
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -695.250089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.250089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.250089 (E_RNA)
where:
Base-Base interactions energy: -410.853
where: short stacking energy: -201.026
Base-Backbone interact. energy: 4.685
local terms energy: -289.081820
where:
bonds (distance) C4'-P energy: -70.745
bonds (distance) P-C4' energy: -67.932
flat angles C4'-P-C4' energy: -65.133
flat angles P-C4'-P energy: -42.752
tors. eta vs tors. theta energy: -42.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -476.598872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.598872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.598872 (E_RNA)
where:
Base-Base interactions energy: -268.162
where: short stacking energy: -133.414
Base-Backbone interact. energy: 1.101
local terms energy: -209.537883
where:
bonds (distance) C4'-P energy: -47.815
bonds (distance) P-C4' energy: -51.869
flat angles C4'-P-C4' energy: -59.966
flat angles P-C4'-P energy: -33.673
tors. eta vs tors. theta energy: -16.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -275.329493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.329493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.329493 (E_RNA)
where:
Base-Base interactions energy: -100.866
where: short stacking energy: -82.574
Base-Backbone interact. energy: -2.052
local terms energy: -172.412380
where:
bonds (distance) C4'-P energy: -47.704
bonds (distance) P-C4' energy: -66.093
flat angles C4'-P-C4' energy: -54.905
flat angles P-C4'-P energy: -26.132
tors. eta vs tors. theta energy: 22.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1278.116308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.116308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.116308 (E_RNA)
where:
Base-Base interactions energy: -880.028
where: short stacking energy: -377.773
Base-Backbone interact. energy: -0.336
local terms energy: -397.752284
where:
bonds (distance) C4'-P energy: -78.822
bonds (distance) P-C4' energy: -75.161
flat angles C4'-P-C4' energy: -80.173
flat angles P-C4'-P energy: -49.487
tors. eta vs tors. theta energy: -114.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1198.883812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.883812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.883812 (E_RNA)
where:
Base-Base interactions energy: -827.420
where: short stacking energy: -340.481
Base-Backbone interact. energy: -0.982
local terms energy: -370.482403
where:
bonds (distance) C4'-P energy: -65.206
bonds (distance) P-C4' energy: -72.199
flat angles C4'-P-C4' energy: -76.909
flat angles P-C4'-P energy: -59.280
tors. eta vs tors. theta energy: -96.890
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: 1
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1131.244718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.244718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.244718 (E_RNA)
where:
Base-Base interactions energy: -768.804
where: short stacking energy: -321.418
Base-Backbone interact. energy: 0.838
local terms energy: -363.278913
where:
bonds (distance) C4'-P energy: -65.766
bonds (distance) P-C4' energy: -68.485
flat angles C4'-P-C4' energy: -89.479
flat angles P-C4'-P energy: -55.266
tors. eta vs tors. theta energy: -84.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1078.692105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.692105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.692105 (E_RNA)
where:
Base-Base interactions energy: -740.292
where: short stacking energy: -292.845
Base-Backbone interact. energy: 1.113
local terms energy: -339.512566
where:
bonds (distance) C4'-P energy: -60.285
bonds (distance) P-C4' energy: -66.029
flat angles C4'-P-C4' energy: -75.728
flat angles P-C4'-P energy: -51.236
tors. eta vs tors. theta energy: -86.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -989.458689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.458689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.458689 (E_RNA)
where:
Base-Base interactions energy: -648.832
where: short stacking energy: -281.760
Base-Backbone interact. energy: -1.259
local terms energy: -339.367438
where:
bonds (distance) C4'-P energy: -53.846
bonds (distance) P-C4' energy: -77.384
flat angles C4'-P-C4' energy: -78.364
flat angles P-C4'-P energy: -52.615
tors. eta vs tors. theta energy: -77.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -959.758686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.758686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.758686 (E_RNA)
where:
Base-Base interactions energy: -608.688
where: short stacking energy: -262.847
Base-Backbone interact. energy: 0.352
local terms energy: -351.422990
where:
bonds (distance) C4'-P energy: -64.343
bonds (distance) P-C4' energy: -69.225
flat angles C4'-P-C4' energy: -79.060
flat angles P-C4'-P energy: -58.404
tors. eta vs tors. theta energy: -80.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -777.436747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.436747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.436747 (E_RNA)
where:
Base-Base interactions energy: -482.800
where: short stacking energy: -219.800
Base-Backbone interact. energy: -0.779
local terms energy: -293.857802
where:
bonds (distance) C4'-P energy: -64.750
bonds (distance) P-C4' energy: -69.719
flat angles C4'-P-C4' energy: -60.272
flat angles P-C4'-P energy: -32.607
tors. eta vs tors. theta energy: -66.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -651.026621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.026621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.026621 (E_RNA)
where:
Base-Base interactions energy: -392.000
where: short stacking energy: -173.585
Base-Backbone interact. energy: 0.507
local terms energy: -259.533678
where:
bonds (distance) C4'-P energy: -52.584
bonds (distance) P-C4' energy: -70.956
flat angles C4'-P-C4' energy: -67.225
flat angles P-C4'-P energy: -43.687
tors. eta vs tors. theta energy: -25.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -495.621070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.621070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.621070 (E_RNA)
where:
Base-Base interactions energy: -259.585
where: short stacking energy: -124.648
Base-Backbone interact. energy: 1.955
local terms energy: -237.991301
where:
bonds (distance) C4'-P energy: -54.365
bonds (distance) P-C4' energy: -53.581
flat angles C4'-P-C4' energy: -76.737
flat angles P-C4'-P energy: -46.774
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: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -307.996211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.996211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.996211 (E_RNA)
where:
Base-Base interactions energy: -125.535
where: short stacking energy: -95.809
Base-Backbone interact. energy: 2.076
local terms energy: -184.537431
where:
bonds (distance) C4'-P energy: -57.447
bonds (distance) P-C4' energy: -59.333
flat angles C4'-P-C4' energy: -58.927
flat angles P-C4'-P energy: -12.305
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: 1, replica: 9
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1290.380891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.380891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.380891 (E_RNA)
where:
Base-Base interactions energy: -889.255
where: short stacking energy: -383.014
Base-Backbone interact. energy: -0.131
local terms energy: -400.994691
where:
bonds (distance) C4'-P energy: -73.783
bonds (distance) P-C4' energy: -71.568
flat angles C4'-P-C4' energy: -81.101
flat angles P-C4'-P energy: -55.567
tors. eta vs tors. theta energy: -118.977
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: 221
Temperature: 0.950000
Total energy: -1206.162991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.162991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.162991 (E_RNA)
where:
Base-Base interactions energy: -844.567
where: short stacking energy: -372.028
Base-Backbone interact. energy: -1.272
local terms energy: -360.324427
where:
bonds (distance) C4'-P energy: -63.819
bonds (distance) P-C4' energy: -58.700
flat angles C4'-P-C4' energy: -81.402
flat angles P-C4'-P energy: -54.777
tors. eta vs tors. theta energy: -101.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1172.125214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.125214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.125214 (E_RNA)
where:
Base-Base interactions energy: -789.452
where: short stacking energy: -334.760
Base-Backbone interact. energy: -2.316
local terms energy: -380.358021
where:
bonds (distance) C4'-P energy: -68.468
bonds (distance) P-C4' energy: -72.764
flat angles C4'-P-C4' energy: -81.323
flat angles P-C4'-P energy: -55.036
tors. eta vs tors. theta energy: -102.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1093.507586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.507586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.507586 (E_RNA)
where:
Base-Base interactions energy: -738.182
where: short stacking energy: -313.132
Base-Backbone interact. energy: -0.866
local terms energy: -354.459555
where:
bonds (distance) C4'-P energy: -68.462
bonds (distance) P-C4' energy: -70.763
flat angles C4'-P-C4' energy: -73.121
flat angles P-C4'-P energy: -58.251
tors. eta vs tors. theta energy: -83.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -980.528782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.528782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.528782 (E_RNA)
where:
Base-Base interactions energy: -632.953
where: short stacking energy: -278.834
Base-Backbone interact. energy: -0.673
local terms energy: -346.903484
where:
bonds (distance) C4'-P energy: -67.789
bonds (distance) P-C4' energy: -74.181
flat angles C4'-P-C4' energy: -76.201
flat angles P-C4'-P energy: -51.100
tors. eta vs tors. theta energy: -77.632
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: 5
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -898.203953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.203953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.203953 (E_RNA)
where:
Base-Base interactions energy: -595.752
where: short stacking energy: -267.100
Base-Backbone interact. energy: -0.569
local terms energy: -301.882579
where:
bonds (distance) C4'-P energy: -52.058
bonds (distance) P-C4' energy: -60.374
flat angles C4'-P-C4' energy: -69.194
flat angles P-C4'-P energy: -52.991
tors. eta vs tors. theta energy: -67.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -729.007237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.007237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.007237 (E_RNA)
where:
Base-Base interactions energy: -448.947
where: short stacking energy: -212.878
Base-Backbone interact. energy: -0.917
local terms energy: -279.142671
where:
bonds (distance) C4'-P energy: -73.427
bonds (distance) P-C4' energy: -56.567
flat angles C4'-P-C4' energy: -70.434
flat angles P-C4'-P energy: -42.438
tors. eta vs tors. theta energy: -36.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -593.929449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.929449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.929449 (E_RNA)
where:
Base-Base interactions energy: -350.812
where: short stacking energy: -173.662
Base-Backbone interact. energy: 0.631
local terms energy: -243.748715
where:
bonds (distance) C4'-P energy: -61.805
bonds (distance) P-C4' energy: -69.125
flat angles C4'-P-C4' energy: -55.836
flat angles P-C4'-P energy: -22.805
tors. eta vs tors. theta energy: -34.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -500.419102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.419102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.419102 (E_RNA)
where:
Base-Base interactions energy: -268.470
where: short stacking energy: -126.602
Base-Backbone interact. energy: 0.604
local terms energy: -232.552916
where:
bonds (distance) C4'-P energy: -60.464
bonds (distance) P-C4' energy: -68.801
flat angles C4'-P-C4' energy: -39.811
flat angles P-C4'-P energy: -38.906
tors. eta vs tors. theta energy: -24.571
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: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -300.544661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.544661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.544661 (E_RNA)
where:
Base-Base interactions energy: -88.774
where: short stacking energy: -71.851
Base-Backbone interact. energy: 1.938
local terms energy: -213.709168
where:
bonds (distance) C4'-P energy: -58.844
bonds (distance) P-C4' energy: -76.289
flat angles C4'-P-C4' energy: -54.131
flat angles P-C4'-P energy: -39.683
tors. eta vs tors. theta energy: 15.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1312.055293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.055293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.055293 (E_RNA)
where:
Base-Base interactions energy: -898.176
where: short stacking energy: -371.418
Base-Backbone interact. energy: -0.476
local terms energy: -413.403309
where:
bonds (distance) C4'-P energy: -78.125
bonds (distance) P-C4' energy: -82.524
flat angles C4'-P-C4' energy: -86.551
flat angles P-C4'-P energy: -49.273
tors. eta vs tors. theta energy: -116.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1215.141810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.141810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.141810 (E_RNA)
where:
Base-Base interactions energy: -837.699
where: short stacking energy: -369.504
Base-Backbone interact. energy: 1.162
local terms energy: -378.604956
where:
bonds (distance) C4'-P energy: -68.560
bonds (distance) P-C4' energy: -71.378
flat angles C4'-P-C4' energy: -76.032
flat angles P-C4'-P energy: -58.220
tors. eta vs tors. theta energy: -104.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1194.553294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.553294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.553294 (E_RNA)
where:
Base-Base interactions energy: -811.234
where: short stacking energy: -357.857
Base-Backbone interact. energy: -2.843
local terms energy: -380.476290
where:
bonds (distance) C4'-P energy: -73.525
bonds (distance) P-C4' energy: -72.391
flat angles C4'-P-C4' energy: -78.766
flat angles P-C4'-P energy: -49.939
tors. eta vs tors. theta energy: -105.855
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: 7
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1080.356631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.356631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.356631 (E_RNA)
where:
Base-Base interactions energy: -745.620
where: short stacking energy: -303.399
Base-Backbone interact. energy: 5.455
local terms energy: -340.191457
where:
bonds (distance) C4'-P energy: -71.541
bonds (distance) P-C4' energy: -82.782
flat angles C4'-P-C4' energy: -63.159
flat angles P-C4'-P energy: -42.794
tors. eta vs tors. theta energy: -79.915
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: 222
Temperature: 1.100000
Total energy: -965.331931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.331931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.331931 (E_RNA)
where:
Base-Base interactions energy: -621.028
where: short stacking energy: -282.496
Base-Backbone interact. energy: -0.834
local terms energy: -343.469869
where:
bonds (distance) C4'-P energy: -64.868
bonds (distance) P-C4' energy: -71.244
flat angles C4'-P-C4' energy: -78.067
flat angles P-C4'-P energy: -45.095
tors. eta vs tors. theta energy: -84.195
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: 6, replica: 5
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -900.904431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.904431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.904431 (E_RNA)
where:
Base-Base interactions energy: -584.183
where: short stacking energy: -224.524
Base-Backbone interact. energy: -2.990
local terms energy: -313.731671
where:
bonds (distance) C4'-P energy: -63.640
bonds (distance) P-C4' energy: -67.156
flat angles C4'-P-C4' energy: -60.979
flat angles P-C4'-P energy: -58.485
tors. eta vs tors. theta energy: -63.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -741.101692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.101692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.101692 (E_RNA)
where:
Base-Base interactions energy: -461.804
where: short stacking energy: -203.967
Base-Backbone interact. energy: -1.463
local terms energy: -277.834951
where:
bonds (distance) C4'-P energy: -56.746
bonds (distance) P-C4' energy: -72.477
flat angles C4'-P-C4' energy: -69.448
flat angles P-C4'-P energy: -35.063
tors. eta vs tors. theta energy: -44.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -641.724499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.724499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.724499 (E_RNA)
where:
Base-Base interactions energy: -375.298
where: short stacking energy: -165.201
Base-Backbone interact. energy: -0.553
local terms energy: -265.873399
where:
bonds (distance) C4'-P energy: -58.503
bonds (distance) P-C4' energy: -72.028
flat angles C4'-P-C4' energy: -58.376
flat angles P-C4'-P energy: -37.885
tors. eta vs tors. theta energy: -39.082
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: 8
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -465.621325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.621325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.621325 (E_RNA)
where:
Base-Base interactions energy: -251.744
where: short stacking energy: -145.511
Base-Backbone interact. energy: 1.099
local terms energy: -214.976129
where:
bonds (distance) C4'-P energy: -55.058
bonds (distance) P-C4' energy: -57.063
flat angles C4'-P-C4' energy: -48.303
flat angles P-C4'-P energy: -49.287
tors. eta vs tors. theta energy: -5.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -313.927166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.927166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.927166 (E_RNA)
where:
Base-Base interactions energy: -126.117
where: short stacking energy: -87.884
Base-Backbone interact. energy: 3.251
local terms energy: -191.060870
where:
bonds (distance) C4'-P energy: -55.490
bonds (distance) P-C4' energy: -69.904
flat angles C4'-P-C4' energy: -48.823
flat angles P-C4'-P energy: -37.256
tors. eta vs tors. theta energy: 20.413
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: 223
Temperature: 0.900000
Total energy: -1318.356927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.356927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.356927 (E_RNA)
where:
Base-Base interactions energy: -889.693
where: short stacking energy: -394.912
Base-Backbone interact. energy: -1.215
local terms energy: -427.449331
where:
bonds (distance) C4'-P energy: -79.794
bonds (distance) P-C4' energy: -68.119
flat angles C4'-P-C4' energy: -94.961
flat angles P-C4'-P energy: -61.983
tors. eta vs tors. theta energy: -122.591
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: 223
Temperature: 0.950000
Total energy: -1217.553155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.553155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.553155 (E_RNA)
where:
Base-Base interactions energy: -849.511
where: short stacking energy: -365.177
Base-Backbone interact. energy: -0.410
local terms energy: -367.632751
where:
bonds (distance) C4'-P energy: -73.297
bonds (distance) P-C4' energy: -58.122
flat angles C4'-P-C4' energy: -81.648
flat angles P-C4'-P energy: -51.653
tors. eta vs tors. theta energy: -102.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1168.677779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.677779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.677779 (E_RNA)
where:
Base-Base interactions energy: -791.604
where: short stacking energy: -363.222
Base-Backbone interact. energy: -3.310
local terms energy: -373.764076
where:
bonds (distance) C4'-P energy: -78.078
bonds (distance) P-C4' energy: -60.630
flat angles C4'-P-C4' energy: -74.287
flat angles P-C4'-P energy: -48.780
tors. eta vs tors. theta energy: -111.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -1132.179629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.179629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.179629 (E_RNA)
where:
Base-Base interactions energy: -776.656
where: short stacking energy: -302.150
Base-Backbone interact. energy: -2.681
local terms energy: -352.842589
where:
bonds (distance) C4'-P energy: -76.568
bonds (distance) P-C4' energy: -67.048
flat angles C4'-P-C4' energy: -76.979
flat angles P-C4'-P energy: -44.593
tors. eta vs tors. theta energy: -87.655
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: 5, replica: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -951.907188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.907188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.907188 (E_RNA)
where:
Base-Base interactions energy: -621.891
where: short stacking energy: -258.147
Base-Backbone interact. energy: -1.157
local terms energy: -328.858878
where:
bonds (distance) C4'-P energy: -83.322
bonds (distance) P-C4' energy: -71.361
flat angles C4'-P-C4' energy: -73.249
flat angles P-C4'-P energy: -38.115
tors. eta vs tors. theta energy: -62.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -949.957774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.957774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.957774 (E_RNA)
where:
Base-Base interactions energy: -632.365
where: short stacking energy: -289.273
Base-Backbone interact. energy: 1.081
local terms energy: -318.674029
where:
bonds (distance) C4'-P energy: -54.641
bonds (distance) P-C4' energy: -68.100
flat angles C4'-P-C4' energy: -71.648
flat angles P-C4'-P energy: -50.243
tors. eta vs tors. theta energy: -74.042
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: 10
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -756.243515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.243515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.243515 (E_RNA)
where:
Base-Base interactions energy: -480.968
where: short stacking energy: -229.844
Base-Backbone interact. energy: -0.328
local terms energy: -274.946684
where:
bonds (distance) C4'-P energy: -54.494
bonds (distance) P-C4' energy: -56.888
flat angles C4'-P-C4' energy: -72.391
flat angles P-C4'-P energy: -31.321
tors. eta vs tors. theta energy: -59.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -659.238369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.238369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.238369 (E_RNA)
where:
Base-Base interactions energy: -429.104
where: short stacking energy: -195.352
Base-Backbone interact. energy: -0.816
local terms energy: -229.319088
where:
bonds (distance) C4'-P energy: -50.299
bonds (distance) P-C4' energy: -63.611
flat angles C4'-P-C4' energy: -51.392
flat angles P-C4'-P energy: -27.610
tors. eta vs tors. theta energy: -36.407
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: 8
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -485.113600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.113600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.113600 (E_RNA)
where:
Base-Base interactions energy: -272.194
where: short stacking energy: -148.535
Base-Backbone interact. energy: 0.327
local terms energy: -213.247248
where:
bonds (distance) C4'-P energy: -55.982
bonds (distance) P-C4' energy: -65.671
flat angles C4'-P-C4' energy: -57.682
flat angles P-C4'-P energy: -23.811
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: 10, replica: 6
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -351.394922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.394922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.394922 (E_RNA)
where:
Base-Base interactions energy: -140.961
where: short stacking energy: -96.191
Base-Backbone interact. energy: 3.909
local terms energy: -214.342628
where:
bonds (distance) C4'-P energy: -65.134
bonds (distance) P-C4' energy: -55.778
flat angles C4'-P-C4' energy: -51.469
flat angles P-C4'-P energy: -30.593
tors. eta vs tors. theta energy: -11.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1307.668428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.668428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.668428 (E_RNA)
where:
Base-Base interactions energy: -906.056
where: short stacking energy: -389.172
Base-Backbone interact. energy: -1.140
local terms energy: -400.472750
where:
bonds (distance) C4'-P energy: -78.536
bonds (distance) P-C4' energy: -74.455
flat angles C4'-P-C4' energy: -72.319
flat angles P-C4'-P energy: -52.193
tors. eta vs tors. theta energy: -122.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1216.691461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.691461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.691461 (E_RNA)
where:
Base-Base interactions energy: -844.539
where: short stacking energy: -363.074
Base-Backbone interact. energy: -1.388
local terms energy: -370.764342
where:
bonds (distance) C4'-P energy: -66.753
bonds (distance) P-C4' energy: -62.222
flat angles C4'-P-C4' energy: -77.444
flat angles P-C4'-P energy: -60.072
tors. eta vs tors. theta energy: -104.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1150.805903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.805903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.805903 (E_RNA)
where:
Base-Base interactions energy: -763.888
where: short stacking energy: -345.390
Base-Backbone interact. energy: 0.496
local terms energy: -387.413903
where:
bonds (distance) C4'-P energy: -72.010
bonds (distance) P-C4' energy: -74.687
flat angles C4'-P-C4' energy: -80.138
flat angles P-C4'-P energy: -52.594
tors. eta vs tors. theta energy: -107.985
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: 224
Temperature: 1.050000
Total energy: -1138.958600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.958600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.958600 (E_RNA)
where:
Base-Base interactions energy: -783.916
where: short stacking energy: -302.457
Base-Backbone interact. energy: -1.489
local terms energy: -353.553725
where:
bonds (distance) C4'-P energy: -75.437
bonds (distance) P-C4' energy: -65.399
flat angles C4'-P-C4' energy: -77.115
flat angles P-C4'-P energy: -53.717
tors. eta vs tors. theta energy: -81.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -973.847857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.847857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.847857 (E_RNA)
where:
Base-Base interactions energy: -651.067
where: short stacking energy: -287.521
Base-Backbone interact. energy: -1.316
local terms energy: -321.464406
where:
bonds (distance) C4'-P energy: -63.279
bonds (distance) P-C4' energy: -64.080
flat angles C4'-P-C4' energy: -66.004
flat angles P-C4'-P energy: -47.398
tors. eta vs tors. theta energy: -80.704
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: 6, replica: 5
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -899.888940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.888940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.888940 (E_RNA)
where:
Base-Base interactions energy: -597.537
where: short stacking energy: -273.847
Base-Backbone interact. energy: 0.693
local terms energy: -303.045131
where:
bonds (distance) C4'-P energy: -65.930
bonds (distance) P-C4' energy: -64.522
flat angles C4'-P-C4' energy: -71.703
flat angles P-C4'-P energy: -31.995
tors. eta vs tors. theta energy: -68.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -728.683862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.683862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.683862 (E_RNA)
where:
Base-Base interactions energy: -452.899
where: short stacking energy: -192.573
Base-Backbone interact. energy: -0.410
local terms energy: -275.374495
where:
bonds (distance) C4'-P energy: -54.095
bonds (distance) P-C4' energy: -75.888
flat angles C4'-P-C4' energy: -58.054
flat angles P-C4'-P energy: -38.957
tors. eta vs tors. theta energy: -48.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -709.647332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.647332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.647332 (E_RNA)
where:
Base-Base interactions energy: -433.142
where: short stacking energy: -205.901
Base-Backbone interact. energy: -0.245
local terms energy: -276.260236
where:
bonds (distance) C4'-P energy: -64.028
bonds (distance) P-C4' energy: -59.996
flat angles C4'-P-C4' energy: -68.577
flat angles P-C4'-P energy: -39.657
tors. eta vs tors. theta energy: -44.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -482.844052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.844052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.844052 (E_RNA)
where:
Base-Base interactions energy: -257.818
where: short stacking energy: -126.070
Base-Backbone interact. energy: -1.956
local terms energy: -223.069453
where:
bonds (distance) C4'-P energy: -64.431
bonds (distance) P-C4' energy: -57.497
flat angles C4'-P-C4' energy: -61.062
flat angles P-C4'-P energy: -39.117
tors. eta vs tors. theta energy: -0.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -345.094350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.094350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.094350 (E_RNA)
where:
Base-Base interactions energy: -141.649
where: short stacking energy: -79.317
Base-Backbone interact. energy: -1.188
local terms energy: -202.258092
where:
bonds (distance) C4'-P energy: -61.958
bonds (distance) P-C4' energy: -61.215
flat angles C4'-P-C4' energy: -52.447
flat angles P-C4'-P energy: -30.640
tors. eta vs tors. theta energy: 4.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1307.559115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.559115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.559115 (E_RNA)
where:
Base-Base interactions energy: -890.178
where: short stacking energy: -370.105
Base-Backbone interact. energy: 0.589
local terms energy: -417.969511
where:
bonds (distance) C4'-P energy: -73.162
bonds (distance) P-C4' energy: -82.627
flat angles C4'-P-C4' energy: -81.554
flat angles P-C4'-P energy: -62.152
tors. eta vs tors. theta energy: -118.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1194.135619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.135619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.135619 (E_RNA)
where:
Base-Base interactions energy: -804.018
where: short stacking energy: -340.933
Base-Backbone interact. energy: -1.642
local terms energy: -388.475638
where:
bonds (distance) C4'-P energy: -71.913
bonds (distance) P-C4' energy: -75.608
flat angles C4'-P-C4' energy: -81.933
flat angles P-C4'-P energy: -58.925
tors. eta vs tors. theta energy: -100.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1147.092005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.092005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.092005 (E_RNA)
where:
Base-Base interactions energy: -775.636
where: short stacking energy: -341.318
Base-Backbone interact. energy: -2.232
local terms energy: -369.223324
where:
bonds (distance) C4'-P energy: -68.958
bonds (distance) P-C4' energy: -58.560
flat angles C4'-P-C4' energy: -85.217
flat angles P-C4'-P energy: -51.716
tors. eta vs tors. theta energy: -104.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1135.350389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.350389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.350389 (E_RNA)
where:
Base-Base interactions energy: -766.933
where: short stacking energy: -315.492
Base-Backbone interact. energy: -2.912
local terms energy: -365.505807
where:
bonds (distance) C4'-P energy: -65.335
bonds (distance) P-C4' energy: -73.142
flat angles C4'-P-C4' energy: -85.478
flat angles P-C4'-P energy: -51.365
tors. eta vs tors. theta energy: -90.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -950.388622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.388622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.388622 (E_RNA)
where:
Base-Base interactions energy: -642.488
where: short stacking energy: -275.807
Base-Backbone interact. energy: -0.388
local terms energy: -307.511865
where:
bonds (distance) C4'-P energy: -59.198
bonds (distance) P-C4' energy: -69.004
flat angles C4'-P-C4' energy: -71.593
flat angles P-C4'-P energy: -40.838
tors. eta vs tors. theta energy: -66.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -849.889972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.889972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.889972 (E_RNA)
where:
Base-Base interactions energy: -543.837
where: short stacking energy: -219.381
Base-Backbone interact. energy: -2.845
local terms energy: -303.207499
where:
bonds (distance) C4'-P energy: -66.105
bonds (distance) P-C4' energy: -61.826
flat angles C4'-P-C4' energy: -78.897
flat angles P-C4'-P energy: -37.974
tors. eta vs tors. theta energy: -58.406
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: 4
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -728.374589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.374589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.374589 (E_RNA)
where:
Base-Base interactions energy: -452.240
where: short stacking energy: -211.150
Base-Backbone interact. energy: -1.327
local terms energy: -274.807409
where:
bonds (distance) C4'-P energy: -58.788
bonds (distance) P-C4' energy: -62.769
flat angles C4'-P-C4' energy: -61.782
flat angles P-C4'-P energy: -43.799
tors. eta vs tors. theta energy: -47.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -684.670178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.670178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.670178 (E_RNA)
where:
Base-Base interactions energy: -416.848
where: short stacking energy: -199.613
Base-Backbone interact. energy: 0.191
local terms energy: -268.013060
where:
bonds (distance) C4'-P energy: -59.958
bonds (distance) P-C4' energy: -63.636
flat angles C4'-P-C4' energy: -66.341
flat angles P-C4'-P energy: -35.020
tors. eta vs tors. theta energy: -43.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -464.984550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.984550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.984550 (E_RNA)
where:
Base-Base interactions energy: -257.662
where: short stacking energy: -124.540
Base-Backbone interact. energy: 2.917
local terms energy: -210.240503
where:
bonds (distance) C4'-P energy: -47.041
bonds (distance) P-C4' energy: -71.743
flat angles C4'-P-C4' energy: -51.681
flat angles P-C4'-P energy: -39.680
tors. eta vs tors. theta energy: -0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -324.910927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.910927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.910927 (E_RNA)
where:
Base-Base interactions energy: -138.412
where: short stacking energy: -84.535
Base-Backbone interact. energy: -0.663
local terms energy: -185.835974
where:
bonds (distance) C4'-P energy: -61.828
bonds (distance) P-C4' energy: -51.804
flat angles C4'-P-C4' energy: -44.260
flat angles P-C4'-P energy: -39.984
tors. eta vs tors. theta energy: 12.041
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: 9
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1298.952365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.952365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.952365 (E_RNA)
where:
Base-Base interactions energy: -888.190
where: short stacking energy: -370.804
Base-Backbone interact. energy: -0.322
local terms energy: -410.441091
where:
bonds (distance) C4'-P energy: -75.439
bonds (distance) P-C4' energy: -73.903
flat angles C4'-P-C4' energy: -82.066
flat angles P-C4'-P energy: -55.007
tors. eta vs tors. theta energy: -124.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1212.690625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.690625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.690625 (E_RNA)
where:
Base-Base interactions energy: -839.286
where: short stacking energy: -364.031
Base-Backbone interact. energy: -0.735
local terms energy: -372.669557
where:
bonds (distance) C4'-P energy: -72.601
bonds (distance) P-C4' energy: -67.815
flat angles C4'-P-C4' energy: -77.350
flat angles P-C4'-P energy: -54.054
tors. eta vs tors. theta energy: -100.850
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: 7
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1167.395611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.395611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.395611 (E_RNA)
where:
Base-Base interactions energy: -806.023
where: short stacking energy: -313.019
Base-Backbone interact. energy: -1.033
local terms energy: -360.339732
where:
bonds (distance) C4'-P energy: -72.004
bonds (distance) P-C4' energy: -67.287
flat angles C4'-P-C4' energy: -75.752
flat angles P-C4'-P energy: -52.921
tors. eta vs tors. theta energy: -92.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1133.102241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.102241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.102241 (E_RNA)
where:
Base-Base interactions energy: -757.249
where: short stacking energy: -311.293
Base-Backbone interact. energy: -1.340
local terms energy: -374.513419
where:
bonds (distance) C4'-P energy: -63.481
bonds (distance) P-C4' energy: -75.049
flat angles C4'-P-C4' energy: -81.901
flat angles P-C4'-P energy: -48.394
tors. eta vs tors. theta energy: -105.689
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: 226
Temperature: 1.100000
Total energy: -929.404311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.404311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.404311 (E_RNA)
where:
Base-Base interactions energy: -600.785
where: short stacking energy: -277.726
Base-Backbone interact. energy: 1.438
local terms energy: -330.057265
where:
bonds (distance) C4'-P energy: -65.418
bonds (distance) P-C4' energy: -63.134
flat angles C4'-P-C4' energy: -79.097
flat angles P-C4'-P energy: -43.942
tors. eta vs tors. theta energy: -78.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -843.837209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.837209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.837209 (E_RNA)
where:
Base-Base interactions energy: -552.993
where: short stacking energy: -219.308
Base-Backbone interact. energy: -2.333
local terms energy: -288.510980
where:
bonds (distance) C4'-P energy: -66.826
bonds (distance) P-C4' energy: -65.701
flat angles C4'-P-C4' energy: -77.730
flat angles P-C4'-P energy: -30.964
tors. eta vs tors. theta energy: -47.290
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: 226
Temperature: 1.200000
Total energy: -735.405816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.405816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.405816 (E_RNA)
where:
Base-Base interactions energy: -439.301
where: short stacking energy: -202.031
Base-Backbone interact. energy: -2.089
local terms energy: -294.015609
where:
bonds (distance) C4'-P energy: -70.386
bonds (distance) P-C4' energy: -67.358
flat angles C4'-P-C4' energy: -66.070
flat angles P-C4'-P energy: -46.969
tors. eta vs tors. theta energy: -43.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -688.388693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.388693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.388693 (E_RNA)
where:
Base-Base interactions energy: -405.733
where: short stacking energy: -187.223
Base-Backbone interact. energy: -3.053
local terms energy: -279.603221
where:
bonds (distance) C4'-P energy: -66.929
bonds (distance) P-C4' energy: -79.881
flat angles C4'-P-C4' energy: -64.906
flat angles P-C4'-P energy: -31.064
tors. eta vs tors. theta energy: -36.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -489.216857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.216857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.216857 (E_RNA)
where:
Base-Base interactions energy: -281.354
where: short stacking energy: -151.223
Base-Backbone interact. energy: 3.668
local terms energy: -211.530647
where:
bonds (distance) C4'-P energy: -56.443
bonds (distance) P-C4' energy: -49.636
flat angles C4'-P-C4' energy: -60.669
flat angles P-C4'-P energy: -39.011
tors. eta vs tors. theta energy: -5.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -318.021670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.021670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.021670 (E_RNA)
where:
Base-Base interactions energy: -111.026
where: short stacking energy: -86.479
Base-Backbone interact. energy: -2.632
local terms energy: -204.363282
where:
bonds (distance) C4'-P energy: -68.855
bonds (distance) P-C4' energy: -69.263
flat angles C4'-P-C4' energy: -52.085
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -4.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1303.177659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.177659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.177659 (E_RNA)
where:
Base-Base interactions energy: -888.273
where: short stacking energy: -390.154
Base-Backbone interact. energy: 0.154
local terms energy: -415.059208
where:
bonds (distance) C4'-P energy: -73.231
bonds (distance) P-C4' energy: -73.132
flat angles C4'-P-C4' energy: -88.519
flat angles P-C4'-P energy: -62.176
tors. eta vs tors. theta energy: -118.001
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: 2, replica: 2
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1210.363645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.363645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.363645 (E_RNA)
where:
Base-Base interactions energy: -833.573
where: short stacking energy: -345.213
Base-Backbone interact. energy: -3.750
local terms energy: -373.040406
where:
bonds (distance) C4'-P energy: -73.900
bonds (distance) P-C4' energy: -71.524
flat angles C4'-P-C4' energy: -76.655
flat angles P-C4'-P energy: -54.770
tors. eta vs tors. theta energy: -96.190
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: 3, replica: 7
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1163.658373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.658373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.658373 (E_RNA)
where:
Base-Base interactions energy: -795.871
where: short stacking energy: -318.824
Base-Backbone interact. energy: -2.037
local terms energy: -365.750085
where:
bonds (distance) C4'-P energy: -70.722
bonds (distance) P-C4' energy: -78.160
flat angles C4'-P-C4' energy: -75.352
flat angles P-C4'-P energy: -59.618
tors. eta vs tors. theta energy: -81.897
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: 4, replica: 1
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -1131.463428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.463428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.463428 (E_RNA)
where:
Base-Base interactions energy: -744.358
where: short stacking energy: -335.655
Base-Backbone interact. energy: -1.565
local terms energy: -385.540531
where:
bonds (distance) C4'-P energy: -75.969
bonds (distance) P-C4' energy: -67.998
flat angles C4'-P-C4' energy: -82.008
flat angles P-C4'-P energy: -48.046
tors. eta vs tors. theta energy: -111.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -950.243392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.243392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.243392 (E_RNA)
where:
Base-Base interactions energy: -636.184
where: short stacking energy: -286.056
Base-Backbone interact. energy: -0.097
local terms energy: -313.962689
where:
bonds (distance) C4'-P energy: -58.239
bonds (distance) P-C4' energy: -68.242
flat angles C4'-P-C4' energy: -71.405
flat angles P-C4'-P energy: -33.933
tors. eta vs tors. theta energy: -82.144
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: 227
Temperature: 1.150000
Total energy: -834.370320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.370320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.370320 (E_RNA)
where:
Base-Base interactions energy: -548.548
where: short stacking energy: -226.627
Base-Backbone interact. energy: 3.158
local terms energy: -288.980079
where:
bonds (distance) C4'-P energy: -65.780
bonds (distance) P-C4' energy: -63.371
flat angles C4'-P-C4' energy: -68.301
flat angles P-C4'-P energy: -42.150
tors. eta vs tors. theta energy: -49.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -764.958973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.958973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.958973 (E_RNA)
where:
Base-Base interactions energy: -474.367
where: short stacking energy: -232.454
Base-Backbone interact. energy: 0.543
local terms energy: -291.134969
where:
bonds (distance) C4'-P energy: -71.828
bonds (distance) P-C4' energy: -66.713
flat angles C4'-P-C4' energy: -57.399
flat angles P-C4'-P energy: -43.855
tors. eta vs tors. theta energy: -51.340
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: 4
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -578.687336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.687336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.687336 (E_RNA)
where:
Base-Base interactions energy: -335.312
where: short stacking energy: -165.682
Base-Backbone interact. energy: 2.177
local terms energy: -245.552568
where:
bonds (distance) C4'-P energy: -56.119
bonds (distance) P-C4' energy: -74.722
flat angles C4'-P-C4' energy: -66.553
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: -34.636
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: 8
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -519.155840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.155840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.155840 (E_RNA)
where:
Base-Base interactions energy: -304.470
where: short stacking energy: -143.483
Base-Backbone interact. energy: -1.372
local terms energy: -213.314419
where:
bonds (distance) C4'-P energy: -58.425
bonds (distance) P-C4' energy: -66.496
flat angles C4'-P-C4' energy: -55.688
flat angles P-C4'-P energy: -19.816
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: 10, replica: 6
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -284.255121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.255121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.255121 (E_RNA)
where:
Base-Base interactions energy: -73.696
where: short stacking energy: -63.546
Base-Backbone interact. energy: 0.540
local terms energy: -211.098564
where:
bonds (distance) C4'-P energy: -61.521
bonds (distance) P-C4' energy: -68.700
flat angles C4'-P-C4' energy: -52.388
flat angles P-C4'-P energy: -43.109
tors. eta vs tors. theta energy: 14.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1287.299122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.299122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.299122 (E_RNA)
where:
Base-Base interactions energy: -875.464
where: short stacking energy: -387.043
Base-Backbone interact. energy: 0.411
local terms energy: -412.245945
where:
bonds (distance) C4'-P energy: -71.024
bonds (distance) P-C4' energy: -75.800
flat angles C4'-P-C4' energy: -91.138
flat angles P-C4'-P energy: -51.551
tors. eta vs tors. theta energy: -122.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1178.775284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.775284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.775284 (E_RNA)
where:
Base-Base interactions energy: -811.886
where: short stacking energy: -354.193
Base-Backbone interact. energy: 2.755
local terms energy: -369.645253
where:
bonds (distance) C4'-P energy: -62.467
bonds (distance) P-C4' energy: -73.695
flat angles C4'-P-C4' energy: -77.330
flat angles P-C4'-P energy: -50.589
tors. eta vs tors. theta energy: -105.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1170.112229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.112229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.112229 (E_RNA)
where:
Base-Base interactions energy: -794.933
where: short stacking energy: -362.940
Base-Backbone interact. energy: -1.710
local terms energy: -373.468525
where:
bonds (distance) C4'-P energy: -70.732
bonds (distance) P-C4' energy: -70.753
flat angles C4'-P-C4' energy: -76.874
flat angles P-C4'-P energy: -48.186
tors. eta vs tors. theta energy: -106.923
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: 228
Temperature: 1.050000
Total energy: -1126.764907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.764907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.764907 (E_RNA)
where:
Base-Base interactions energy: -781.647
where: short stacking energy: -309.267
Base-Backbone interact. energy: -2.525
local terms energy: -342.593256
where:
bonds (distance) C4'-P energy: -71.038
bonds (distance) P-C4' energy: -55.799
flat angles C4'-P-C4' energy: -80.111
flat angles P-C4'-P energy: -47.589
tors. eta vs tors. theta energy: -88.056
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: 5
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -896.171871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.171871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.171871 (E_RNA)
where:
Base-Base interactions energy: -601.017
where: short stacking energy: -269.285
Base-Backbone interact. energy: -2.489
local terms energy: -292.665696
where:
bonds (distance) C4'-P energy: -60.772
bonds (distance) P-C4' energy: -55.160
flat angles C4'-P-C4' energy: -71.928
flat angles P-C4'-P energy: -45.513
tors. eta vs tors. theta energy: -59.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -925.643587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.643587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.643587 (E_RNA)
where:
Base-Base interactions energy: -605.620
where: short stacking energy: -248.621
Base-Backbone interact. energy: -0.268
local terms energy: -319.754787
where:
bonds (distance) C4'-P energy: -64.807
bonds (distance) P-C4' energy: -72.458
flat angles C4'-P-C4' energy: -69.981
flat angles P-C4'-P energy: -48.528
tors. eta vs tors. theta energy: -63.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -730.992780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.992780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.992780 (E_RNA)
where:
Base-Base interactions energy: -453.185
where: short stacking energy: -205.531
Base-Backbone interact. energy: -0.152
local terms energy: -277.656047
where:
bonds (distance) C4'-P energy: -55.064
bonds (distance) P-C4' energy: -67.515
flat angles C4'-P-C4' energy: -65.832
flat angles P-C4'-P energy: -42.620
tors. eta vs tors. theta energy: -46.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -612.809100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.809100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.809100 (E_RNA)
where:
Base-Base interactions energy: -376.642
where: short stacking energy: -181.312
Base-Backbone interact. energy: -1.267
local terms energy: -234.900629
where:
bonds (distance) C4'-P energy: -49.115
bonds (distance) P-C4' energy: -62.727
flat angles C4'-P-C4' energy: -55.201
flat angles P-C4'-P energy: -32.695
tors. eta vs tors. theta energy: -35.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -481.097738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.097738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.097738 (E_RNA)
where:
Base-Base interactions energy: -249.616
where: short stacking energy: -117.099
Base-Backbone interact. energy: -1.692
local terms energy: -229.789686
where:
bonds (distance) C4'-P energy: -65.124
bonds (distance) P-C4' energy: -59.353
flat angles C4'-P-C4' energy: -56.450
flat angles P-C4'-P energy: -41.640
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: 10, replica: 6
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -278.661011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.661011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.661011 (E_RNA)
where:
Base-Base interactions energy: -94.810
where: short stacking energy: -77.519
Base-Backbone interact. energy: -1.219
local terms energy: -182.631729
where:
bonds (distance) C4'-P energy: -62.116
bonds (distance) P-C4' energy: -68.012
flat angles C4'-P-C4' energy: -51.451
flat angles P-C4'-P energy: -18.053
tors. eta vs tors. theta energy: 17.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1290.043393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.043393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.043393 (E_RNA)
where:
Base-Base interactions energy: -875.064
where: short stacking energy: -368.027
Base-Backbone interact. energy: 1.968
local terms energy: -416.947544
where:
bonds (distance) C4'-P energy: -77.011
bonds (distance) P-C4' energy: -70.213
flat angles C4'-P-C4' energy: -92.540
flat angles P-C4'-P energy: -57.960
tors. eta vs tors. theta energy: -119.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1201.173154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.173154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.173154 (E_RNA)
where:
Base-Base interactions energy: -814.488
where: short stacking energy: -362.063
Base-Backbone interact. energy: -1.772
local terms energy: -384.912859
where:
bonds (distance) C4'-P energy: -70.892
bonds (distance) P-C4' energy: -74.239
flat angles C4'-P-C4' energy: -76.520
flat angles P-C4'-P energy: -49.348
tors. eta vs tors. theta energy: -113.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1154.832892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.832892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.832892 (E_RNA)
where:
Base-Base interactions energy: -766.462
where: short stacking energy: -340.595
Base-Backbone interact. energy: -1.569
local terms energy: -386.801783
where:
bonds (distance) C4'-P energy: -76.809
bonds (distance) P-C4' energy: -72.480
flat angles C4'-P-C4' energy: -80.196
flat angles P-C4'-P energy: -60.675
tors. eta vs tors. theta energy: -96.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1129.000828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.000828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.000828 (E_RNA)
where:
Base-Base interactions energy: -761.660
where: short stacking energy: -307.363
Base-Backbone interact. energy: -1.940
local terms energy: -365.400187
where:
bonds (distance) C4'-P energy: -72.192
bonds (distance) P-C4' energy: -74.269
flat angles C4'-P-C4' energy: -76.882
flat angles P-C4'-P energy: -52.105
tors. eta vs tors. theta energy: -89.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -957.416067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.416067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.416067 (E_RNA)
where:
Base-Base interactions energy: -625.914
where: short stacking energy: -258.642
Base-Backbone interact. energy: -2.153
local terms energy: -329.349217
where:
bonds (distance) C4'-P energy: -66.553
bonds (distance) P-C4' energy: -72.322
flat angles C4'-P-C4' energy: -71.584
flat angles P-C4'-P energy: -41.293
tors. eta vs tors. theta energy: -77.598
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: 229
Temperature: 1.150000
Total energy: -901.478037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.478037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.478037 (E_RNA)
where:
Base-Base interactions energy: -605.991
where: short stacking energy: -268.986
Base-Backbone interact. energy: -1.158
local terms energy: -294.329343
where:
bonds (distance) C4'-P energy: -52.036
bonds (distance) P-C4' energy: -62.422
flat angles C4'-P-C4' energy: -62.882
flat angles P-C4'-P energy: -45.012
tors. eta vs tors. theta energy: -71.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -719.636021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.636021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.636021 (E_RNA)
where:
Base-Base interactions energy: -438.080
where: short stacking energy: -181.734
Base-Backbone interact. energy: -0.987
local terms energy: -280.568576
where:
bonds (distance) C4'-P energy: -59.405
bonds (distance) P-C4' energy: -69.624
flat angles C4'-P-C4' energy: -54.829
flat angles P-C4'-P energy: -48.841
tors. eta vs tors. theta energy: -47.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -586.922751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.922751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.922751 (E_RNA)
where:
Base-Base interactions energy: -342.767
where: short stacking energy: -144.534
Base-Backbone interact. energy: -0.674
local terms energy: -243.482550
where:
bonds (distance) C4'-P energy: -48.131
bonds (distance) P-C4' energy: -75.225
flat angles C4'-P-C4' energy: -61.281
flat angles P-C4'-P energy: -34.153
tors. eta vs tors. theta energy: -24.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -481.102975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.102975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.102975 (E_RNA)
where:
Base-Base interactions energy: -243.297
where: short stacking energy: -143.934
Base-Backbone interact. energy: 0.055
local terms energy: -237.860317
where:
bonds (distance) C4'-P energy: -63.012
bonds (distance) P-C4' energy: -55.716
flat angles C4'-P-C4' energy: -57.656
flat angles P-C4'-P energy: -33.694
tors. eta vs tors. theta energy: -27.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -283.802070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.802070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.802070 (E_RNA)
where:
Base-Base interactions energy: -100.853
where: short stacking energy: -88.020
Base-Backbone interact. energy: -1.011
local terms energy: -181.938273
where:
bonds (distance) C4'-P energy: -58.091
bonds (distance) P-C4' energy: -61.326
flat angles C4'-P-C4' energy: -50.294
flat angles P-C4'-P energy: -25.184
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: 1, replica: 9
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1286.947234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.947234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.947234 (E_RNA)
where:
Base-Base interactions energy: -868.253
where: short stacking energy: -383.105
Base-Backbone interact. energy: -1.350
local terms energy: -417.344244
where:
bonds (distance) C4'-P energy: -65.347
bonds (distance) P-C4' energy: -81.134
flat angles C4'-P-C4' energy: -86.462
flat angles P-C4'-P energy: -54.547
tors. eta vs tors. theta energy: -129.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1192.599611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.599611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.599611 (E_RNA)
where:
Base-Base interactions energy: -799.560
where: short stacking energy: -349.630
Base-Backbone interact. energy: -1.774
local terms energy: -391.266424
where:
bonds (distance) C4'-P energy: -74.549
bonds (distance) P-C4' energy: -70.869
flat angles C4'-P-C4' energy: -80.852
flat angles P-C4'-P energy: -58.770
tors. eta vs tors. theta energy: -106.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1193.957515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.957515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.957515 (E_RNA)
where:
Base-Base interactions energy: -809.062
where: short stacking energy: -351.542
Base-Backbone interact. energy: 0.861
local terms energy: -385.757198
where:
bonds (distance) C4'-P energy: -67.235
bonds (distance) P-C4' energy: -72.625
flat angles C4'-P-C4' energy: -86.700
flat angles P-C4'-P energy: -57.646
tors. eta vs tors. theta energy: -101.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1101.863740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.863740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.863740 (E_RNA)
where:
Base-Base interactions energy: -742.515
where: short stacking energy: -319.848
Base-Backbone interact. energy: -2.046
local terms energy: -357.302314
where:
bonds (distance) C4'-P energy: -68.253
bonds (distance) P-C4' energy: -67.392
flat angles C4'-P-C4' energy: -73.909
flat angles P-C4'-P energy: -57.627
tors. eta vs tors. theta energy: -90.121
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: 5, replica: 5
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -976.602847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.602847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.602847 (E_RNA)
where:
Base-Base interactions energy: -654.088
where: short stacking energy: -274.287
Base-Backbone interact. energy: -1.586
local terms energy: -320.928239
where:
bonds (distance) C4'-P energy: -68.126
bonds (distance) P-C4' energy: -52.194
flat angles C4'-P-C4' energy: -77.659
flat angles P-C4'-P energy: -40.768
tors. eta vs tors. theta energy: -82.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -896.270935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.270935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.270935 (E_RNA)
where:
Base-Base interactions energy: -590.795
where: short stacking energy: -240.539
Base-Backbone interact. energy: -1.227
local terms energy: -304.248669
where:
bonds (distance) C4'-P energy: -65.810
bonds (distance) P-C4' energy: -65.750
flat angles C4'-P-C4' energy: -63.266
flat angles P-C4'-P energy: -41.414
tors. eta vs tors. theta energy: -68.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -747.589393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.589393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.589393 (E_RNA)
where:
Base-Base interactions energy: -455.665
where: short stacking energy: -217.351
Base-Backbone interact. energy: 0.766
local terms energy: -292.690627
where:
bonds (distance) C4'-P energy: -54.012
bonds (distance) P-C4' energy: -66.150
flat angles C4'-P-C4' energy: -75.405
flat angles P-C4'-P energy: -43.389
tors. eta vs tors. theta energy: -53.734
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: 4
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -618.307779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.307779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.307779 (E_RNA)
where:
Base-Base interactions energy: -353.013
where: short stacking energy: -169.350
Base-Backbone interact. energy: 0.229
local terms energy: -265.524143
where:
bonds (distance) C4'-P energy: -67.872
bonds (distance) P-C4' energy: -57.857
flat angles C4'-P-C4' energy: -58.866
flat angles P-C4'-P energy: -46.172
tors. eta vs tors. theta energy: -34.757
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: 8
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -470.469715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.469715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.469715 (E_RNA)
where:
Base-Base interactions energy: -241.918
where: short stacking energy: -126.499
Base-Backbone interact. energy: 1.645
local terms energy: -230.196597
where:
bonds (distance) C4'-P energy: -54.300
bonds (distance) P-C4' energy: -65.845
flat angles C4'-P-C4' energy: -67.688
flat angles P-C4'-P energy: -27.367
tors. eta vs tors. theta energy: -14.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -293.600520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.600520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.600520 (E_RNA)
where:
Base-Base interactions energy: -102.002
where: short stacking energy: -89.156
Base-Backbone interact. energy: -1.046
local terms energy: -190.552628
where:
bonds (distance) C4'-P energy: -45.724
bonds (distance) P-C4' energy: -67.265
flat angles C4'-P-C4' energy: -59.145
flat angles P-C4'-P energy: -31.573
tors. eta vs tors. theta energy: 13.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1278.859451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.859451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.859451 (E_RNA)
where:
Base-Base interactions energy: -879.844
where: short stacking energy: -375.063
Base-Backbone interact. energy: -1.288
local terms energy: -397.727155
where:
bonds (distance) C4'-P energy: -74.262
bonds (distance) P-C4' energy: -64.813
flat angles C4'-P-C4' energy: -83.372
flat angles P-C4'-P energy: -55.742
tors. eta vs tors. theta energy: -119.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1177.370353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.370353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.370353 (E_RNA)
where:
Base-Base interactions energy: -811.823
where: short stacking energy: -331.357
Base-Backbone interact. energy: 3.003
local terms energy: -368.550599
where:
bonds (distance) C4'-P energy: -78.842
bonds (distance) P-C4' energy: -74.881
flat angles C4'-P-C4' energy: -76.455
flat angles P-C4'-P energy: -43.217
tors. eta vs tors. theta energy: -95.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1154.262552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.262552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.262552 (E_RNA)
where:
Base-Base interactions energy: -763.268
where: short stacking energy: -318.999
Base-Backbone interact. energy: 1.923
local terms energy: -392.917434
where:
bonds (distance) C4'-P energy: -72.992
bonds (distance) P-C4' energy: -71.430
flat angles C4'-P-C4' energy: -85.304
flat angles P-C4'-P energy: -58.705
tors. eta vs tors. theta energy: -104.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1095.577832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.577832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.577832 (E_RNA)
where:
Base-Base interactions energy: -749.460
where: short stacking energy: -300.016
Base-Backbone interact. energy: -2.431
local terms energy: -343.687261
where:
bonds (distance) C4'-P energy: -64.760
bonds (distance) P-C4' energy: -74.872
flat angles C4'-P-C4' energy: -74.904
flat angles P-C4'-P energy: -40.052
tors. eta vs tors. theta energy: -89.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -992.822162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.822162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.822162 (E_RNA)
where:
Base-Base interactions energy: -675.017
where: short stacking energy: -278.314
Base-Backbone interact. energy: -1.599
local terms energy: -316.206388
where:
bonds (distance) C4'-P energy: -66.686
bonds (distance) P-C4' energy: -60.396
flat angles C4'-P-C4' energy: -79.567
flat angles P-C4'-P energy: -42.311
tors. eta vs tors. theta energy: -67.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -909.166337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.166337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.166337 (E_RNA)
where:
Base-Base interactions energy: -602.397
where: short stacking energy: -256.249
Base-Backbone interact. energy: -1.934
local terms energy: -304.835265
where:
bonds (distance) C4'-P energy: -63.282
bonds (distance) P-C4' energy: -53.473
flat angles C4'-P-C4' energy: -76.083
flat angles P-C4'-P energy: -51.428
tors. eta vs tors. theta energy: -60.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -722.263458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.263458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.263458 (E_RNA)
where:
Base-Base interactions energy: -437.789
where: short stacking energy: -209.164
Base-Backbone interact. energy: -1.531
local terms energy: -282.943123
where:
bonds (distance) C4'-P energy: -55.021
bonds (distance) P-C4' energy: -68.343
flat angles C4'-P-C4' energy: -70.687
flat angles P-C4'-P energy: -43.883
tors. eta vs tors. theta energy: -45.010
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: 8, replica: 4
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -629.856150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.856150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.856150 (E_RNA)
where:
Base-Base interactions energy: -353.827
where: short stacking energy: -167.087
Base-Backbone interact. energy: 7.187
local terms energy: -283.215807
where:
bonds (distance) C4'-P energy: -57.962
bonds (distance) P-C4' energy: -77.980
flat angles C4'-P-C4' energy: -76.302
flat angles P-C4'-P energy: -39.994
tors. eta vs tors. theta energy: -30.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -527.163850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.163850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.163850 (E_RNA)
where:
Base-Base interactions energy: -291.433
where: short stacking energy: -136.461
Base-Backbone interact. energy: -1.657
local terms energy: -234.074201
where:
bonds (distance) C4'-P energy: -63.510
bonds (distance) P-C4' energy: -54.767
flat angles C4'-P-C4' energy: -62.447
flat angles P-C4'-P energy: -48.758
tors. eta vs tors. theta energy: -4.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -284.572391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.572391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.572391 (E_RNA)
where:
Base-Base interactions energy: -90.466
where: short stacking energy: -67.450
Base-Backbone interact. energy: -1.483
local terms energy: -192.623425
where:
bonds (distance) C4'-P energy: -62.751
bonds (distance) P-C4' energy: -77.304
flat angles C4'-P-C4' energy: -38.025
flat angles P-C4'-P energy: -24.197
tors. eta vs tors. theta energy: 9.653
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: 9
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1278.376871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.376871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.376871 (E_RNA)
where:
Base-Base interactions energy: -874.064
where: short stacking energy: -383.108
Base-Backbone interact. energy: 0.277
local terms energy: -404.590146
where:
bonds (distance) C4'-P energy: -75.957
bonds (distance) P-C4' energy: -64.166
flat angles C4'-P-C4' energy: -82.536
flat angles P-C4'-P energy: -60.627
tors. eta vs tors. theta energy: -121.305
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: 2, replica: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1190.943372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.943372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.943372 (E_RNA)
where:
Base-Base interactions energy: -814.231
where: short stacking energy: -337.460
Base-Backbone interact. energy: 0.800
local terms energy: -377.512943
where:
bonds (distance) C4'-P energy: -77.503
bonds (distance) P-C4' energy: -72.741
flat angles C4'-P-C4' energy: -76.411
flat angles P-C4'-P energy: -52.982
tors. eta vs tors. theta energy: -97.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1173.823041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.823041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.823041 (E_RNA)
where:
Base-Base interactions energy: -778.216
where: short stacking energy: -348.615
Base-Backbone interact. energy: -0.366
local terms energy: -395.241471
where:
bonds (distance) C4'-P energy: -73.856
bonds (distance) P-C4' energy: -81.992
flat angles C4'-P-C4' energy: -81.042
flat angles P-C4'-P energy: -52.759
tors. eta vs tors. theta energy: -105.592
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: 7
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1098.452031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.452031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.452031 (E_RNA)
where:
Base-Base interactions energy: -756.817
where: short stacking energy: -308.809
Base-Backbone interact. energy: -0.190
local terms energy: -341.444958
where:
bonds (distance) C4'-P energy: -64.531
bonds (distance) P-C4' energy: -71.395
flat angles C4'-P-C4' energy: -79.669
flat angles P-C4'-P energy: -45.096
tors. eta vs tors. theta energy: -80.755
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: 5
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -980.756143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.756143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.756143 (E_RNA)
where:
Base-Base interactions energy: -638.278
where: short stacking energy: -261.814
Base-Backbone interact. energy: 2.046
local terms energy: -344.524608
where:
bonds (distance) C4'-P energy: -69.731
bonds (distance) P-C4' energy: -65.296
flat angles C4'-P-C4' energy: -83.319
flat angles P-C4'-P energy: -56.970
tors. eta vs tors. theta energy: -69.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -883.369791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.369791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.369791 (E_RNA)
where:
Base-Base interactions energy: -583.478
where: short stacking energy: -228.624
Base-Backbone interact. energy: -1.631
local terms energy: -298.260093
where:
bonds (distance) C4'-P energy: -67.570
bonds (distance) P-C4' energy: -53.198
flat angles C4'-P-C4' energy: -69.445
flat angles P-C4'-P energy: -52.096
tors. eta vs tors. theta energy: -55.951
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: 7, replica: 10
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -708.118110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.118110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.118110 (E_RNA)
where:
Base-Base interactions energy: -433.430
where: short stacking energy: -203.300
Base-Backbone interact. energy: -1.002
local terms energy: -273.685410
where:
bonds (distance) C4'-P energy: -62.250
bonds (distance) P-C4' energy: -64.553
flat angles C4'-P-C4' energy: -74.191
flat angles P-C4'-P energy: -38.472
tors. eta vs tors. theta energy: -34.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -639.399273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.399273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.399273 (E_RNA)
where:
Base-Base interactions energy: -382.884
where: short stacking energy: -203.694
Base-Backbone interact. energy: -3.357
local terms energy: -253.158866
where:
bonds (distance) C4'-P energy: -50.508
bonds (distance) P-C4' energy: -68.577
flat angles C4'-P-C4' energy: -61.227
flat angles P-C4'-P energy: -38.348
tors. eta vs tors. theta energy: -34.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -535.087722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.087722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.087722 (E_RNA)
where:
Base-Base interactions energy: -303.583
where: short stacking energy: -161.574
Base-Backbone interact. energy: 2.429
local terms energy: -233.933332
where:
bonds (distance) C4'-P energy: -54.873
bonds (distance) P-C4' energy: -59.728
flat angles C4'-P-C4' energy: -49.205
flat angles P-C4'-P energy: -44.001
tors. eta vs tors. theta energy: -26.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -320.425860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.425860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.425860 (E_RNA)
where:
Base-Base interactions energy: -116.080
where: short stacking energy: -95.633
Base-Backbone interact. energy: 1.922
local terms energy: -206.267734
where:
bonds (distance) C4'-P energy: -69.201
bonds (distance) P-C4' energy: -61.658
flat angles C4'-P-C4' energy: -38.546
flat angles P-C4'-P energy: -48.025
tors. eta vs tors. theta energy: 11.162
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: 233
Temperature: 0.900000
Total energy: -1275.088111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.088111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.088111 (E_RNA)
where:
Base-Base interactions energy: -857.470
where: short stacking energy: -382.120
Base-Backbone interact. energy: 1.487
local terms energy: -419.105198
where:
bonds (distance) C4'-P energy: -71.271
bonds (distance) P-C4' energy: -78.285
flat angles C4'-P-C4' energy: -88.414
flat angles P-C4'-P energy: -62.299
tors. eta vs tors. theta energy: -118.837
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: 2, replica: 1
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1178.815474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.815474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.815474 (E_RNA)
where:
Base-Base interactions energy: -803.906
where: short stacking energy: -351.535
Base-Backbone interact. energy: -0.843
local terms energy: -374.065760
where:
bonds (distance) C4'-P energy: -70.687
bonds (distance) P-C4' energy: -75.524
flat angles C4'-P-C4' energy: -81.150
flat angles P-C4'-P energy: -50.218
tors. eta vs tors. theta energy: -96.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1173.887366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.887366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.887366 (E_RNA)
where:
Base-Base interactions energy: -795.276
where: short stacking energy: -342.184
Base-Backbone interact. energy: 0.185
local terms energy: -378.796741
where:
bonds (distance) C4'-P energy: -70.748
bonds (distance) P-C4' energy: -76.596
flat angles C4'-P-C4' energy: -84.227
flat angles P-C4'-P energy: -47.410
tors. eta vs tors. theta energy: -99.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1101.845676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.845676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.845676 (E_RNA)
where:
Base-Base interactions energy: -758.351
where: short stacking energy: -312.812
Base-Backbone interact. energy: 1.003
local terms energy: -344.497474
where:
bonds (distance) C4'-P energy: -62.490
bonds (distance) P-C4' energy: -75.979
flat angles C4'-P-C4' energy: -76.692
flat angles P-C4'-P energy: -48.951
tors. eta vs tors. theta energy: -80.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -965.537979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.537979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.537979 (E_RNA)
where:
Base-Base interactions energy: -651.013
where: short stacking energy: -266.193
Base-Backbone interact. energy: -0.519
local terms energy: -314.005926
where:
bonds (distance) C4'-P energy: -64.112
bonds (distance) P-C4' energy: -66.079
flat angles C4'-P-C4' energy: -63.198
flat angles P-C4'-P energy: -52.417
tors. eta vs tors. theta energy: -68.200
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: 3
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -890.305211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.305211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.305211 (E_RNA)
where:
Base-Base interactions energy: -599.738
where: short stacking energy: -254.801
Base-Backbone interact. energy: -1.198
local terms energy: -289.369403
where:
bonds (distance) C4'-P energy: -62.145
bonds (distance) P-C4' energy: -61.727
flat angles C4'-P-C4' energy: -69.422
flat angles P-C4'-P energy: -42.319
tors. eta vs tors. theta energy: -53.758
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: 7, replica: 10
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -793.642846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.642846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.642846 (E_RNA)
where:
Base-Base interactions energy: -496.637
where: short stacking energy: -241.006
Base-Backbone interact. energy: -0.294
local terms energy: -296.711082
where:
bonds (distance) C4'-P energy: -72.379
bonds (distance) P-C4' energy: -57.680
flat angles C4'-P-C4' energy: -63.107
flat angles P-C4'-P energy: -41.561
tors. eta vs tors. theta energy: -61.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -644.729991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.729991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.729991 (E_RNA)
where:
Base-Base interactions energy: -379.341
where: short stacking energy: -175.687
Base-Backbone interact. energy: -2.625
local terms energy: -262.763839
where:
bonds (distance) C4'-P energy: -57.827
bonds (distance) P-C4' energy: -68.283
flat angles C4'-P-C4' energy: -65.700
flat angles P-C4'-P energy: -40.425
tors. eta vs tors. theta energy: -30.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -508.081216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.081216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.081216 (E_RNA)
where:
Base-Base interactions energy: -263.485
where: short stacking energy: -136.018
Base-Backbone interact. energy: 0.757
local terms energy: -245.353104
where:
bonds (distance) C4'-P energy: -71.208
bonds (distance) P-C4' energy: -61.073
flat angles C4'-P-C4' energy: -54.266
flat angles P-C4'-P energy: -38.120
tors. eta vs tors. theta energy: -20.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -294.180642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.180642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.180642 (E_RNA)
where:
Base-Base interactions energy: -100.090
where: short stacking energy: -82.703
Base-Backbone interact. energy: -2.855
local terms energy: -191.235438
where:
bonds (distance) C4'-P energy: -69.887
bonds (distance) P-C4' energy: -63.923
flat angles C4'-P-C4' energy: -42.654
flat angles P-C4'-P energy: -21.421
tors. eta vs tors. theta energy: 6.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1290.056399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.056399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.056399 (E_RNA)
where:
Base-Base interactions energy: -887.937
where: short stacking energy: -389.252
Base-Backbone interact. energy: -1.090
local terms energy: -401.029190
where:
bonds (distance) C4'-P energy: -69.911
bonds (distance) P-C4' energy: -78.419
flat angles C4'-P-C4' energy: -82.885
flat angles P-C4'-P energy: -53.204
tors. eta vs tors. theta energy: -116.610
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: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1210.365241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.365241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.365241 (E_RNA)
where:
Base-Base interactions energy: -820.676
where: short stacking energy: -377.822
Base-Backbone interact. energy: -2.637
local terms energy: -387.052248
where:
bonds (distance) C4'-P energy: -63.784
bonds (distance) P-C4' energy: -70.307
flat angles C4'-P-C4' energy: -79.718
flat angles P-C4'-P energy: -52.308
tors. eta vs tors. theta energy: -120.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1174.006041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.006041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.006041 (E_RNA)
where:
Base-Base interactions energy: -787.421
where: short stacking energy: -338.857
Base-Backbone interact. energy: -0.516
local terms energy: -386.069245
where:
bonds (distance) C4'-P energy: -72.270
bonds (distance) P-C4' energy: -67.465
flat angles C4'-P-C4' energy: -84.221
flat angles P-C4'-P energy: -61.587
tors. eta vs tors. theta energy: -100.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -1101.576537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.576537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.576537 (E_RNA)
where:
Base-Base interactions energy: -748.473
where: short stacking energy: -290.135
Base-Backbone interact. energy: 2.369
local terms energy: -355.471755
where:
bonds (distance) C4'-P energy: -64.565
bonds (distance) P-C4' energy: -82.649
flat angles C4'-P-C4' energy: -71.657
flat angles P-C4'-P energy: -52.083
tors. eta vs tors. theta energy: -84.517
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: 5, replica: 5
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -959.169646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.169646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.169646 (E_RNA)
where:
Base-Base interactions energy: -640.702
where: short stacking energy: -265.354
Base-Backbone interact. energy: -3.647
local terms energy: -314.821088
where:
bonds (distance) C4'-P energy: -67.506
bonds (distance) P-C4' energy: -63.030
flat angles C4'-P-C4' energy: -76.430
flat angles P-C4'-P energy: -34.210
tors. eta vs tors. theta energy: -73.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -907.221210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.221210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.221210 (E_RNA)
where:
Base-Base interactions energy: -603.507
where: short stacking energy: -254.148
Base-Backbone interact. energy: -0.424
local terms energy: -303.289844
where:
bonds (distance) C4'-P energy: -59.654
bonds (distance) P-C4' energy: -74.306
flat angles C4'-P-C4' energy: -66.556
flat angles P-C4'-P energy: -39.392
tors. eta vs tors. theta energy: -63.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -788.203099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.203099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.203099 (E_RNA)
where:
Base-Base interactions energy: -512.888
where: short stacking energy: -234.654
Base-Backbone interact. energy: 5.971
local terms energy: -281.285454
where:
bonds (distance) C4'-P energy: -65.479
bonds (distance) P-C4' energy: -62.321
flat angles C4'-P-C4' energy: -61.755
flat angles P-C4'-P energy: -35.588
tors. eta vs tors. theta energy: -56.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -597.793493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.793493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.793493 (E_RNA)
where:
Base-Base interactions energy: -335.818
where: short stacking energy: -149.208
Base-Backbone interact. energy: -1.743
local terms energy: -260.232431
where:
bonds (distance) C4'-P energy: -60.011
bonds (distance) P-C4' energy: -65.007
flat angles C4'-P-C4' energy: -61.389
flat angles P-C4'-P energy: -46.904
tors. eta vs tors. theta energy: -26.922
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: 8
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -455.228218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.228218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.228218 (E_RNA)
where:
Base-Base interactions energy: -217.614
where: short stacking energy: -105.554
Base-Backbone interact. energy: 0.790
local terms energy: -238.404802
where:
bonds (distance) C4'-P energy: -62.747
bonds (distance) P-C4' energy: -64.322
flat angles C4'-P-C4' energy: -61.612
flat angles P-C4'-P energy: -47.832
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: 10, replica: 6
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -292.970908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.970908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.970908 (E_RNA)
where:
Base-Base interactions energy: -83.002
where: short stacking energy: -79.946
Base-Backbone interact. energy: 2.845
local terms energy: -212.814197
where:
bonds (distance) C4'-P energy: -52.485
bonds (distance) P-C4' energy: -69.312
flat angles C4'-P-C4' energy: -55.477
flat angles P-C4'-P energy: -32.886
tors. eta vs tors. theta energy: -2.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1295.654351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.654351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.654351 (E_RNA)
where:
Base-Base interactions energy: -880.538
where: short stacking energy: -378.657
Base-Backbone interact. energy: 2.052
local terms energy: -417.167892
where:
bonds (distance) C4'-P energy: -77.727
bonds (distance) P-C4' energy: -72.091
flat angles C4'-P-C4' energy: -86.303
flat angles P-C4'-P energy: -61.224
tors. eta vs tors. theta energy: -119.823
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: 1
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1208.963441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.963441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.963441 (E_RNA)
where:
Base-Base interactions energy: -806.936
where: short stacking energy: -367.831
Base-Backbone interact. energy: 0.235
local terms energy: -402.262550
where:
bonds (distance) C4'-P energy: -73.173
bonds (distance) P-C4' energy: -80.788
flat angles C4'-P-C4' energy: -76.702
flat angles P-C4'-P energy: -56.830
tors. eta vs tors. theta energy: -114.770
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: 2
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -1156.517104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.517104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.517104 (E_RNA)
where:
Base-Base interactions energy: -781.253
where: short stacking energy: -341.565
Base-Backbone interact. energy: -0.951
local terms energy: -374.312974
where:
bonds (distance) C4'-P energy: -76.709
bonds (distance) P-C4' energy: -69.664
flat angles C4'-P-C4' energy: -86.457
flat angles P-C4'-P energy: -46.692
tors. eta vs tors. theta energy: -94.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -1078.048751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.048751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.048751 (E_RNA)
where:
Base-Base interactions energy: -740.735
where: short stacking energy: -289.607
Base-Backbone interact. energy: 2.770
local terms energy: -340.083600
where:
bonds (distance) C4'-P energy: -60.467
bonds (distance) P-C4' energy: -82.043
flat angles C4'-P-C4' energy: -79.991
flat angles P-C4'-P energy: -43.339
tors. eta vs tors. theta energy: -74.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -919.099975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.099975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.099975 (E_RNA)
where:
Base-Base interactions energy: -606.056
where: short stacking energy: -251.254
Base-Backbone interact. energy: -2.939
local terms energy: -310.105318
where:
bonds (distance) C4'-P energy: -57.393
bonds (distance) P-C4' energy: -71.816
flat angles C4'-P-C4' energy: -71.358
flat angles P-C4'-P energy: -37.649
tors. eta vs tors. theta energy: -71.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -926.599581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.599581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.599581 (E_RNA)
where:
Base-Base interactions energy: -600.898
where: short stacking energy: -248.772
Base-Backbone interact. energy: -1.536
local terms energy: -324.165283
where:
bonds (distance) C4'-P energy: -57.154
bonds (distance) P-C4' energy: -77.594
flat angles C4'-P-C4' energy: -76.539
flat angles P-C4'-P energy: -45.563
tors. eta vs tors. theta energy: -67.316
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: 10
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -842.480270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.480270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.480270 (E_RNA)
where:
Base-Base interactions energy: -529.648
where: short stacking energy: -238.451
Base-Backbone interact. energy: -1.214
local terms energy: -311.618411
where:
bonds (distance) C4'-P energy: -65.086
bonds (distance) P-C4' energy: -64.204
flat angles C4'-P-C4' energy: -64.972
flat angles P-C4'-P energy: -48.560
tors. eta vs tors. theta energy: -68.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -597.765735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.765735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.765735 (E_RNA)
where:
Base-Base interactions energy: -346.349
where: short stacking energy: -161.685
Base-Backbone interact. energy: -2.673
local terms energy: -248.743995
where:
bonds (distance) C4'-P energy: -51.538
bonds (distance) P-C4' energy: -53.531
flat angles C4'-P-C4' energy: -73.265
flat angles P-C4'-P energy: -44.887
tors. eta vs tors. theta energy: -25.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -457.284033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.284033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.284033 (E_RNA)
where:
Base-Base interactions energy: -225.195
where: short stacking energy: -119.409
Base-Backbone interact. energy: 3.288
local terms energy: -235.376572
where:
bonds (distance) C4'-P energy: -54.220
bonds (distance) P-C4' energy: -62.152
flat angles C4'-P-C4' energy: -53.293
flat angles P-C4'-P energy: -46.828
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: 10, replica: 6
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -315.208323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.208323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.208323 (E_RNA)
where:
Base-Base interactions energy: -94.880
where: short stacking energy: -81.600
Base-Backbone interact. energy: -2.298
local terms energy: -218.030787
where:
bonds (distance) C4'-P energy: -62.748
bonds (distance) P-C4' energy: -70.924
flat angles C4'-P-C4' energy: -57.048
flat angles P-C4'-P energy: -33.810
tors. eta vs tors. theta energy: 6.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1292.167114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.167114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.167114 (E_RNA)
where:
Base-Base interactions energy: -889.331
where: short stacking energy: -386.396
Base-Backbone interact. energy: -3.246
local terms energy: -399.589981
where:
bonds (distance) C4'-P energy: -69.204
bonds (distance) P-C4' energy: -72.784
flat angles C4'-P-C4' energy: -83.341
flat angles P-C4'-P energy: -55.883
tors. eta vs tors. theta energy: -118.377
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: 1
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1199.376852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.376852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.376852 (E_RNA)
where:
Base-Base interactions energy: -812.265
where: short stacking energy: -378.053
Base-Backbone interact. energy: 0.630
local terms energy: -387.741853
where:
bonds (distance) C4'-P energy: -65.554
bonds (distance) P-C4' energy: -74.824
flat angles C4'-P-C4' energy: -81.185
flat angles P-C4'-P energy: -51.787
tors. eta vs tors. theta energy: -114.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -1124.173259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.173259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.173259 (E_RNA)
where:
Base-Base interactions energy: -782.661
where: short stacking energy: -326.709
Base-Backbone interact. energy: 0.715
local terms energy: -342.227323
where:
bonds (distance) C4'-P energy: -53.776
bonds (distance) P-C4' energy: -74.327
flat angles C4'-P-C4' energy: -69.938
flat angles P-C4'-P energy: -56.043
tors. eta vs tors. theta energy: -88.144
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: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1111.187569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.187569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.187569 (E_RNA)
where:
Base-Base interactions energy: -769.078
where: short stacking energy: -303.439
Base-Backbone interact. energy: -0.697
local terms energy: -341.412689
where:
bonds (distance) C4'-P energy: -71.923
bonds (distance) P-C4' energy: -55.484
flat angles C4'-P-C4' energy: -67.983
flat angles P-C4'-P energy: -49.034
tors. eta vs tors. theta energy: -96.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -986.912596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.912596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.912596 (E_RNA)
where:
Base-Base interactions energy: -686.137
where: short stacking energy: -278.870
Base-Backbone interact. energy: 1.338
local terms energy: -302.113055
where:
bonds (distance) C4'-P energy: -47.804
bonds (distance) P-C4' energy: -71.963
flat angles C4'-P-C4' energy: -63.875
flat angles P-C4'-P energy: -42.196
tors. eta vs tors. theta energy: -76.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -908.674718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.674718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.674718 (E_RNA)
where:
Base-Base interactions energy: -610.930
where: short stacking energy: -245.557
Base-Backbone interact. energy: 0.749
local terms energy: -298.493505
where:
bonds (distance) C4'-P energy: -69.668
bonds (distance) P-C4' energy: -55.846
flat angles C4'-P-C4' energy: -66.728
flat angles P-C4'-P energy: -42.639
tors. eta vs tors. theta energy: -63.613
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: 10
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -780.322191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.322191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.322191 (E_RNA)
where:
Base-Base interactions energy: -514.008
where: short stacking energy: -237.720
Base-Backbone interact. energy: -0.601
local terms energy: -265.713512
where:
bonds (distance) C4'-P energy: -51.493
bonds (distance) P-C4' energy: -62.775
flat angles C4'-P-C4' energy: -66.385
flat angles P-C4'-P energy: -34.271
tors. eta vs tors. theta energy: -50.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -698.965690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.965690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.965690 (E_RNA)
where:
Base-Base interactions energy: -417.412
where: short stacking energy: -200.503
Base-Backbone interact. energy: -1.265
local terms energy: -280.288286
where:
bonds (distance) C4'-P energy: -63.908
bonds (distance) P-C4' energy: -63.785
flat angles C4'-P-C4' energy: -64.439
flat angles P-C4'-P energy: -40.309
tors. eta vs tors. theta energy: -47.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -446.078327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.078327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.078327 (E_RNA)
where:
Base-Base interactions energy: -213.651
where: short stacking energy: -126.201
Base-Backbone interact. energy: -0.594
local terms energy: -231.833508
where:
bonds (distance) C4'-P energy: -65.325
bonds (distance) P-C4' energy: -63.484
flat angles C4'-P-C4' energy: -65.361
flat angles P-C4'-P energy: -27.305
tors. eta vs tors. theta energy: -10.359
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: 6
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -276.141432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.141432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.141432 (E_RNA)
where:
Base-Base interactions energy: -92.653
where: short stacking energy: -85.105
Base-Backbone interact. energy: 1.390
local terms energy: -184.878403
where:
bonds (distance) C4'-P energy: -66.527
bonds (distance) P-C4' energy: -62.800
flat angles C4'-P-C4' energy: -48.381
flat angles P-C4'-P energy: -26.432
tors. eta vs tors. theta energy: 19.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1297.275532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.275532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.275532 (E_RNA)
where:
Base-Base interactions energy: -880.481
where: short stacking energy: -372.576
Base-Backbone interact. energy: -1.642
local terms energy: -415.151961
where:
bonds (distance) C4'-P energy: -78.374
bonds (distance) P-C4' energy: -78.220
flat angles C4'-P-C4' energy: -84.288
flat angles P-C4'-P energy: -64.508
tors. eta vs tors. theta energy: -109.763
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: 1
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1188.516121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.516121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.516121 (E_RNA)
where:
Base-Base interactions energy: -800.776
where: short stacking energy: -357.501
Base-Backbone interact. energy: -4.459
local terms energy: -383.280723
where:
bonds (distance) C4'-P energy: -69.659
bonds (distance) P-C4' energy: -69.033
flat angles C4'-P-C4' energy: -80.906
flat angles P-C4'-P energy: -52.313
tors. eta vs tors. theta energy: -111.369
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: 7
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1164.657621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.657621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.657621 (E_RNA)
where:
Base-Base interactions energy: -791.808
where: short stacking energy: -333.641
Base-Backbone interact. energy: -1.157
local terms energy: -371.692837
where:
bonds (distance) C4'-P energy: -64.335
bonds (distance) P-C4' energy: -65.736
flat angles C4'-P-C4' energy: -81.756
flat angles P-C4'-P energy: -57.406
tors. eta vs tors. theta energy: -102.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -1115.121632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.121632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.121632 (E_RNA)
where:
Base-Base interactions energy: -761.825
where: short stacking energy: -325.885
Base-Backbone interact. energy: -1.992
local terms energy: -351.304408
where:
bonds (distance) C4'-P energy: -62.626
bonds (distance) P-C4' energy: -74.065
flat angles C4'-P-C4' energy: -73.775
flat angles P-C4'-P energy: -46.177
tors. eta vs tors. theta energy: -94.662
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: 5
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -976.709181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.709181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.709181 (E_RNA)
where:
Base-Base interactions energy: -661.133
where: short stacking energy: -276.037
Base-Backbone interact. energy: -0.599
local terms energy: -314.977511
where:
bonds (distance) C4'-P energy: -63.867
bonds (distance) P-C4' energy: -60.202
flat angles C4'-P-C4' energy: -83.935
flat angles P-C4'-P energy: -39.963
tors. eta vs tors. theta energy: -67.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -902.651877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.651877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.651877 (E_RNA)
where:
Base-Base interactions energy: -594.506
where: short stacking energy: -259.078
Base-Backbone interact. energy: 0.319
local terms energy: -308.464892
where:
bonds (distance) C4'-P energy: -55.134
bonds (distance) P-C4' energy: -65.706
flat angles C4'-P-C4' energy: -77.016
flat angles P-C4'-P energy: -51.618
tors. eta vs tors. theta energy: -58.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -775.137445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.137445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.137445 (E_RNA)
where:
Base-Base interactions energy: -500.897
where: short stacking energy: -223.068
Base-Backbone interact. energy: -0.564
local terms energy: -273.675960
where:
bonds (distance) C4'-P energy: -58.561
bonds (distance) P-C4' energy: -62.215
flat angles C4'-P-C4' energy: -70.278
flat angles P-C4'-P energy: -28.465
tors. eta vs tors. theta energy: -54.157
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: 4
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -649.563266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.563266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.563266 (E_RNA)
where:
Base-Base interactions energy: -384.253
where: short stacking energy: -171.752
Base-Backbone interact. energy: -1.550
local terms energy: -263.760645
where:
bonds (distance) C4'-P energy: -57.656
bonds (distance) P-C4' energy: -69.041
flat angles C4'-P-C4' energy: -53.556
flat angles P-C4'-P energy: -41.550
tors. eta vs tors. theta energy: -41.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -466.330765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.330765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.330765 (E_RNA)
where:
Base-Base interactions energy: -242.272
where: short stacking energy: -136.557
Base-Backbone interact. energy: -4.449
local terms energy: -219.609462
where:
bonds (distance) C4'-P energy: -52.016
bonds (distance) P-C4' energy: -63.212
flat angles C4'-P-C4' energy: -64.394
flat angles P-C4'-P energy: -32.915
tors. eta vs tors. theta energy: -7.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -304.269982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.269982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.269982 (E_RNA)
where:
Base-Base interactions energy: -96.749
where: short stacking energy: -81.658
Base-Backbone interact. energy: 3.931
local terms energy: -211.452427
where:
bonds (distance) C4'-P energy: -66.326
bonds (distance) P-C4' energy: -58.004
flat angles C4'-P-C4' energy: -56.342
flat angles P-C4'-P energy: -37.768
tors. eta vs tors. theta energy: 6.988
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: 9
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1309.246289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.246289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.246289 (E_RNA)
where:
Base-Base interactions energy: -893.493
where: short stacking energy: -403.423
Base-Backbone interact. energy: -1.527
local terms energy: -414.226425
where:
bonds (distance) C4'-P energy: -76.868
bonds (distance) P-C4' energy: -77.626
flat angles C4'-P-C4' energy: -82.943
flat angles P-C4'-P energy: -58.353
tors. eta vs tors. theta energy: -118.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1197.157903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.157903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.157903 (E_RNA)
where:
Base-Base interactions energy: -813.207
where: short stacking energy: -359.625
Base-Backbone interact. energy: -2.792
local terms energy: -381.159134
where:
bonds (distance) C4'-P energy: -67.299
bonds (distance) P-C4' energy: -68.949
flat angles C4'-P-C4' energy: -84.648
flat angles P-C4'-P energy: -53.916
tors. eta vs tors. theta energy: -106.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1169.559897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.559897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.559897 (E_RNA)
where:
Base-Base interactions energy: -810.053
where: short stacking energy: -341.738
Base-Backbone interact. energy: -1.128
local terms energy: -358.378391
where:
bonds (distance) C4'-P energy: -66.939
bonds (distance) P-C4' energy: -66.434
flat angles C4'-P-C4' energy: -74.856
flat angles P-C4'-P energy: -45.394
tors. eta vs tors. theta energy: -104.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -1113.251747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.251747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.251747 (E_RNA)
where:
Base-Base interactions energy: -754.704
where: short stacking energy: -333.969
Base-Backbone interact. energy: -0.587
local terms energy: -357.960791
where:
bonds (distance) C4'-P energy: -65.867
bonds (distance) P-C4' energy: -65.363
flat angles C4'-P-C4' energy: -65.598
flat angles P-C4'-P energy: -62.847
tors. eta vs tors. theta energy: -98.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -961.446592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.446592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.446592 (E_RNA)
where:
Base-Base interactions energy: -635.570
where: short stacking energy: -273.676
Base-Backbone interact. energy: -0.319
local terms energy: -325.557113
where:
bonds (distance) C4'-P energy: -66.255
bonds (distance) P-C4' energy: -60.117
flat angles C4'-P-C4' energy: -72.984
flat angles P-C4'-P energy: -59.355
tors. eta vs tors. theta energy: -66.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -930.174803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.174803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.174803 (E_RNA)
where:
Base-Base interactions energy: -598.223
where: short stacking energy: -260.201
Base-Backbone interact. energy: -1.060
local terms energy: -330.892362
where:
bonds (distance) C4'-P energy: -76.680
bonds (distance) P-C4' energy: -57.780
flat angles C4'-P-C4' energy: -75.721
flat angles P-C4'-P energy: -47.339
tors. eta vs tors. theta energy: -73.372
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: 10
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -791.704155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.704155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.704155 (E_RNA)
where:
Base-Base interactions energy: -497.796
where: short stacking energy: -235.055
Base-Backbone interact. energy: -0.105
local terms energy: -293.802727
where:
bonds (distance) C4'-P energy: -61.144
bonds (distance) P-C4' energy: -59.723
flat angles C4'-P-C4' energy: -73.391
flat angles P-C4'-P energy: -47.746
tors. eta vs tors. theta energy: -51.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -666.243621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.243621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.243621 (E_RNA)
where:
Base-Base interactions energy: -402.152
where: short stacking energy: -190.384
Base-Backbone interact. energy: -0.159
local terms energy: -263.932607
where:
bonds (distance) C4'-P energy: -61.796
bonds (distance) P-C4' energy: -62.848
flat angles C4'-P-C4' energy: -61.761
flat angles P-C4'-P energy: -29.302
tors. eta vs tors. theta energy: -48.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -491.979150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.979150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.979150 (E_RNA)
where:
Base-Base interactions energy: -272.760
where: short stacking energy: -133.796
Base-Backbone interact. energy: -0.538
local terms energy: -218.680964
where:
bonds (distance) C4'-P energy: -55.668
bonds (distance) P-C4' energy: -63.912
flat angles C4'-P-C4' energy: -59.143
flat angles P-C4'-P energy: -26.333
tors. eta vs tors. theta energy: -13.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -286.924077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.924077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.924077 (E_RNA)
where:
Base-Base interactions energy: -97.506
where: short stacking energy: -92.055
Base-Backbone interact. energy: -0.688
local terms energy: -188.730082
where:
bonds (distance) C4'-P energy: -53.067
bonds (distance) P-C4' energy: -53.198
flat angles C4'-P-C4' energy: -58.647
flat angles P-C4'-P energy: -32.803
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: 1, replica: 9
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1305.468717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.468717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.468717 (E_RNA)
where:
Base-Base interactions energy: -909.087
where: short stacking energy: -390.417
Base-Backbone interact. energy: -1.224
local terms energy: -395.157018
where:
bonds (distance) C4'-P energy: -66.303
bonds (distance) P-C4' energy: -71.754
flat angles C4'-P-C4' energy: -76.547
flat angles P-C4'-P energy: -59.585
tors. eta vs tors. theta energy: -120.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1197.147277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.147277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.147277 (E_RNA)
where:
Base-Base interactions energy: -798.962
where: short stacking energy: -354.219
Base-Backbone interact. energy: -3.077
local terms energy: -395.108615
where:
bonds (distance) C4'-P energy: -70.736
bonds (distance) P-C4' energy: -69.926
flat angles C4'-P-C4' energy: -86.697
flat angles P-C4'-P energy: -58.147
tors. eta vs tors. theta energy: -109.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1149.858228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.858228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.858228 (E_RNA)
where:
Base-Base interactions energy: -775.704
where: short stacking energy: -329.208
Base-Backbone interact. energy: -0.064
local terms energy: -374.090151
where:
bonds (distance) C4'-P energy: -75.959
bonds (distance) P-C4' energy: -68.888
flat angles C4'-P-C4' energy: -82.754
flat angles P-C4'-P energy: -53.584
tors. eta vs tors. theta energy: -92.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -1141.058364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.058364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.058364 (E_RNA)
where:
Base-Base interactions energy: -784.565
where: short stacking energy: -322.498
Base-Backbone interact. energy: -0.144
local terms energy: -356.349337
where:
bonds (distance) C4'-P energy: -63.396
bonds (distance) P-C4' energy: -74.475
flat angles C4'-P-C4' energy: -78.421
flat angles P-C4'-P energy: -42.974
tors. eta vs tors. theta energy: -97.084
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: 239
Temperature: 1.100000
Total energy: -955.030801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.030801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.030801 (E_RNA)
where:
Base-Base interactions energy: -627.459
where: short stacking energy: -268.264
Base-Backbone interact. energy: -1.257
local terms energy: -326.314440
where:
bonds (distance) C4'-P energy: -64.171
bonds (distance) P-C4' energy: -75.985
flat angles C4'-P-C4' energy: -70.531
flat angles P-C4'-P energy: -38.025
tors. eta vs tors. theta energy: -77.603
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: 6, replica: 3
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -917.379453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.379453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.379453 (E_RNA)
where:
Base-Base interactions energy: -605.095
where: short stacking energy: -254.725
Base-Backbone interact. energy: -1.101
local terms energy: -311.183441
where:
bonds (distance) C4'-P energy: -70.144
bonds (distance) P-C4' energy: -65.491
flat angles C4'-P-C4' energy: -68.401
flat angles P-C4'-P energy: -36.191
tors. eta vs tors. theta energy: -70.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -776.405138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.405138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.405138 (E_RNA)
where:
Base-Base interactions energy: -502.882
where: short stacking energy: -223.122
Base-Backbone interact. energy: 1.674
local terms energy: -275.196424
where:
bonds (distance) C4'-P energy: -54.750
bonds (distance) P-C4' energy: -68.397
flat angles C4'-P-C4' energy: -57.267
flat angles P-C4'-P energy: -44.434
tors. eta vs tors. theta energy: -50.349
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: 8, replica: 4
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -658.942794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.942794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.942794 (E_RNA)
where:
Base-Base interactions energy: -409.650
where: short stacking energy: -192.744
Base-Backbone interact. energy: -0.218
local terms energy: -249.074263
where:
bonds (distance) C4'-P energy: -56.710
bonds (distance) P-C4' energy: -60.387
flat angles C4'-P-C4' energy: -64.846
flat angles P-C4'-P energy: -34.276
tors. eta vs tors. theta energy: -32.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -486.804803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.804803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.804803 (E_RNA)
where:
Base-Base interactions energy: -274.474
where: short stacking energy: -155.638
Base-Backbone interact. energy: -2.031
local terms energy: -210.299954
where:
bonds (distance) C4'-P energy: -52.064
bonds (distance) P-C4' energy: -67.122
flat angles C4'-P-C4' energy: -45.825
flat angles P-C4'-P energy: -38.073
tors. eta vs tors. theta energy: -7.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -284.099465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.099465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.099465 (E_RNA)
where:
Base-Base interactions energy: -110.358
where: short stacking energy: -94.948
Base-Backbone interact. energy: -0.313
local terms energy: -173.428180
where:
bonds (distance) C4'-P energy: -54.675
bonds (distance) P-C4' energy: -61.610
flat angles C4'-P-C4' energy: -49.639
flat angles P-C4'-P energy: -17.995
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: 1, replica: 9
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1301.616985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.616985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.616985 (E_RNA)
where:
Base-Base interactions energy: -887.996
where: short stacking energy: -389.208
Base-Backbone interact. energy: -1.722
local terms energy: -411.898584
where:
bonds (distance) C4'-P energy: -80.324
bonds (distance) P-C4' energy: -70.318
flat angles C4'-P-C4' energy: -81.080
flat angles P-C4'-P energy: -57.501
tors. eta vs tors. theta energy: -122.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1199.547089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.547089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.547089 (E_RNA)
where:
Base-Base interactions energy: -804.644
where: short stacking energy: -352.768
Base-Backbone interact. energy: -2.585
local terms energy: -392.318021
where:
bonds (distance) C4'-P energy: -71.121
bonds (distance) P-C4' energy: -70.123
flat angles C4'-P-C4' energy: -86.314
flat angles P-C4'-P energy: -55.251
tors. eta vs tors. theta energy: -109.509
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: 7
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1144.480259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.480259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.480259 (E_RNA)
where:
Base-Base interactions energy: -800.813
where: short stacking energy: -336.377
Base-Backbone interact. energy: -0.570
local terms energy: -343.097546
where:
bonds (distance) C4'-P energy: -69.742
bonds (distance) P-C4' energy: -63.070
flat angles C4'-P-C4' energy: -76.813
flat angles P-C4'-P energy: -43.939
tors. eta vs tors. theta energy: -89.533
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: 2
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1141.428895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.428895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.428895 (E_RNA)
where:
Base-Base interactions energy: -788.626
where: short stacking energy: -325.338
Base-Backbone interact. energy: 1.210
local terms energy: -354.013404
where:
bonds (distance) C4'-P energy: -57.730
bonds (distance) P-C4' energy: -70.872
flat angles C4'-P-C4' energy: -83.455
flat angles P-C4'-P energy: -43.808
tors. eta vs tors. theta energy: -98.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -986.716645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.716645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.716645 (E_RNA)
where:
Base-Base interactions energy: -662.937
where: short stacking energy: -285.783
Base-Backbone interact. energy: -0.936
local terms energy: -322.843675
where:
bonds (distance) C4'-P energy: -68.198
bonds (distance) P-C4' energy: -65.589
flat angles C4'-P-C4' energy: -67.828
flat angles P-C4'-P energy: -46.503
tors. eta vs tors. theta energy: -74.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -941.826615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.826615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.826615 (E_RNA)
where:
Base-Base interactions energy: -634.958
where: short stacking energy: -249.906
Base-Backbone interact. energy: 0.614
local terms energy: -307.482326
where:
bonds (distance) C4'-P energy: -66.804
bonds (distance) P-C4' energy: -63.257
flat angles C4'-P-C4' energy: -60.263
flat angles P-C4'-P energy: -44.627
tors. eta vs tors. theta energy: -72.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -753.312275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.312275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.312275 (E_RNA)
where:
Base-Base interactions energy: -464.931
where: short stacking energy: -206.637
Base-Backbone interact. energy: -1.699
local terms energy: -286.682719
where:
bonds (distance) C4'-P energy: -64.615
bonds (distance) P-C4' energy: -72.541
flat angles C4'-P-C4' energy: -68.410
flat angles P-C4'-P energy: -40.049
tors. eta vs tors. theta energy: -41.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -610.328673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.328673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.328673 (E_RNA)
where:
Base-Base interactions energy: -364.674
where: short stacking energy: -167.764
Base-Backbone interact. energy: 1.161
local terms energy: -246.815408
where:
bonds (distance) C4'-P energy: -63.301
bonds (distance) P-C4' energy: -60.649
flat angles C4'-P-C4' energy: -50.443
flat angles P-C4'-P energy: -37.656
tors. eta vs tors. theta energy: -34.767
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: 8
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -479.416169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.416169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.416169 (E_RNA)
where:
Base-Base interactions energy: -234.587
where: short stacking energy: -144.870
Base-Backbone interact. energy: -0.245
local terms energy: -244.584449
where:
bonds (distance) C4'-P energy: -56.225
bonds (distance) P-C4' energy: -66.937
flat angles C4'-P-C4' energy: -56.872
flat angles P-C4'-P energy: -35.319
tors. eta vs tors. theta energy: -29.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -290.160805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.160805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.160805 (E_RNA)
where:
Base-Base interactions energy: -103.160
where: short stacking energy: -63.719
Base-Backbone interact. energy: 0.192
local terms energy: -187.192179
where:
bonds (distance) C4'-P energy: -67.041
bonds (distance) P-C4' energy: -65.826
flat angles C4'-P-C4' energy: -46.612
flat angles P-C4'-P energy: -32.704
tors. eta vs tors. theta energy: 24.990
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: 9
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1284.187290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.187290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.187290 (E_RNA)
where:
Base-Base interactions energy: -869.664
where: short stacking energy: -381.354
Base-Backbone interact. energy: -0.696
local terms energy: -413.828178
where:
bonds (distance) C4'-P energy: -79.289
bonds (distance) P-C4' energy: -72.639
flat angles C4'-P-C4' energy: -79.621
flat angles P-C4'-P energy: -67.818
tors. eta vs tors. theta energy: -114.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1209.984936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.984936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.984936 (E_RNA)
where:
Base-Base interactions energy: -839.615
where: short stacking energy: -346.085
Base-Backbone interact. energy: -3.569
local terms energy: -366.801202
where:
bonds (distance) C4'-P energy: -64.025
bonds (distance) P-C4' energy: -72.705
flat angles C4'-P-C4' energy: -77.009
flat angles P-C4'-P energy: -51.347
tors. eta vs tors. theta energy: -101.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1165.929431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.929431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.929431 (E_RNA)
where:
Base-Base interactions energy: -792.306
where: short stacking energy: -331.833
Base-Backbone interact. energy: -1.753
local terms energy: -371.869747
where:
bonds (distance) C4'-P energy: -68.304
bonds (distance) P-C4' energy: -72.144
flat angles C4'-P-C4' energy: -83.271
flat angles P-C4'-P energy: -57.476
tors. eta vs tors. theta energy: -90.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1132.728212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.728212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.728212 (E_RNA)
where:
Base-Base interactions energy: -780.853
where: short stacking energy: -318.689
Base-Backbone interact. energy: -2.164
local terms energy: -349.711819
where:
bonds (distance) C4'-P energy: -64.775
bonds (distance) P-C4' energy: -61.270
flat angles C4'-P-C4' energy: -80.007
flat angles P-C4'-P energy: -52.090
tors. eta vs tors. theta energy: -91.570
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: 3
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -982.937535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.937535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.937535 (E_RNA)
where:
Base-Base interactions energy: -655.407
where: short stacking energy: -287.232
Base-Backbone interact. energy: -1.445
local terms energy: -326.085001
where:
bonds (distance) C4'-P energy: -65.537
bonds (distance) P-C4' energy: -65.948
flat angles C4'-P-C4' energy: -71.841
flat angles P-C4'-P energy: -42.480
tors. eta vs tors. theta energy: -80.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -872.103922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.103922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.103922 (E_RNA)
where:
Base-Base interactions energy: -596.377
where: short stacking energy: -226.413
Base-Backbone interact. energy: 2.765
local terms energy: -278.491887
where:
bonds (distance) C4'-P energy: -52.884
bonds (distance) P-C4' energy: -63.565
flat angles C4'-P-C4' energy: -67.510
flat angles P-C4'-P energy: -35.856
tors. eta vs tors. theta energy: -58.677
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: 10
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -797.138373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.138373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.138373 (E_RNA)
where:
Base-Base interactions energy: -516.713
where: short stacking energy: -232.983
Base-Backbone interact. energy: 3.963
local terms energy: -284.389025
where:
bonds (distance) C4'-P energy: -55.153
bonds (distance) P-C4' energy: -68.813
flat angles C4'-P-C4' energy: -66.837
flat angles P-C4'-P energy: -34.957
tors. eta vs tors. theta energy: -58.628
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: 4
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -612.387004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.387004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.387004 (E_RNA)
where:
Base-Base interactions energy: -371.647
where: short stacking energy: -153.412
Base-Backbone interact. energy: -1.652
local terms energy: -239.088057
where:
bonds (distance) C4'-P energy: -46.497
bonds (distance) P-C4' energy: -66.262
flat angles C4'-P-C4' energy: -60.154
flat angles P-C4'-P energy: -45.004
tors. eta vs tors. theta energy: -21.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -519.519578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.519578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.519578 (E_RNA)
where:
Base-Base interactions energy: -275.685
where: short stacking energy: -138.902
Base-Backbone interact. energy: 4.083
local terms energy: -247.917144
where:
bonds (distance) C4'-P energy: -58.171
bonds (distance) P-C4' energy: -63.900
flat angles C4'-P-C4' energy: -67.578
flat angles P-C4'-P energy: -34.663
tors. eta vs tors. theta energy: -23.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -280.921901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.921901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.921901 (E_RNA)
where:
Base-Base interactions energy: -99.413
where: short stacking energy: -75.035
Base-Backbone interact. energy: 1.993
local terms energy: -183.502112
where:
bonds (distance) C4'-P energy: -59.021
bonds (distance) P-C4' energy: -63.032
flat angles C4'-P-C4' energy: -39.851
flat angles P-C4'-P energy: -39.128
tors. eta vs tors. theta energy: 17.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1292.176913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.176913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.176913 (E_RNA)
where:
Base-Base interactions energy: -873.613
where: short stacking energy: -393.625
Base-Backbone interact. energy: -0.976
local terms energy: -417.588236
where:
bonds (distance) C4'-P energy: -77.173
bonds (distance) P-C4' energy: -80.742
flat angles C4'-P-C4' energy: -89.891
flat angles P-C4'-P energy: -55.166
tors. eta vs tors. theta energy: -114.617
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: 1
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1205.571401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.571401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.571401 (E_RNA)
where:
Base-Base interactions energy: -812.452
where: short stacking energy: -355.905
Base-Backbone interact. energy: -3.300
local terms energy: -389.819809
where:
bonds (distance) C4'-P energy: -71.252
bonds (distance) P-C4' energy: -52.346
flat angles C4'-P-C4' energy: -82.362
flat angles P-C4'-P energy: -66.392
tors. eta vs tors. theta energy: -117.469
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: 242
Temperature: 1.000000
Total energy: -1174.914342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.914342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.914342 (E_RNA)
where:
Base-Base interactions energy: -809.598
where: short stacking energy: -325.885
Base-Backbone interact. energy: -2.404
local terms energy: -362.912492
where:
bonds (distance) C4'-P energy: -68.207
bonds (distance) P-C4' energy: -67.195
flat angles C4'-P-C4' energy: -79.950
flat angles P-C4'-P energy: -45.739
tors. eta vs tors. theta energy: -101.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1172.653096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.653096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.653096 (E_RNA)
where:
Base-Base interactions energy: -811.469
where: short stacking energy: -308.905
Base-Backbone interact. energy: -1.589
local terms energy: -359.594513
where:
bonds (distance) C4'-P energy: -66.459
bonds (distance) P-C4' energy: -72.547
flat angles C4'-P-C4' energy: -67.925
flat angles P-C4'-P energy: -58.002
tors. eta vs tors. theta energy: -94.662
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: 3
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1001.063131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.063131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.063131 (E_RNA)
where:
Base-Base interactions energy: -651.096
where: short stacking energy: -266.221
Base-Backbone interact. energy: 0.759
local terms energy: -350.726030
where:
bonds (distance) C4'-P energy: -70.638
bonds (distance) P-C4' energy: -63.351
flat angles C4'-P-C4' energy: -79.692
flat angles P-C4'-P energy: -55.387
tors. eta vs tors. theta energy: -81.657
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: 242
Temperature: 1.150000
Total energy: -829.089926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.089926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.089926 (E_RNA)
where:
Base-Base interactions energy: -547.332
where: short stacking energy: -230.296
Base-Backbone interact. energy: -0.431
local terms energy: -281.326933
where:
bonds (distance) C4'-P energy: -56.084
bonds (distance) P-C4' energy: -65.936
flat angles C4'-P-C4' energy: -66.669
flat angles P-C4'-P energy: -36.653
tors. eta vs tors. theta energy: -55.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -800.352647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.352647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.352647 (E_RNA)
where:
Base-Base interactions energy: -522.358
where: short stacking energy: -234.738
Base-Backbone interact. energy: 4.472
local terms energy: -282.466245
where:
bonds (distance) C4'-P energy: -63.104
bonds (distance) P-C4' energy: -55.582
flat angles C4'-P-C4' energy: -62.304
flat angles P-C4'-P energy: -47.312
tors. eta vs tors. theta energy: -54.166
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: 4
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -521.911131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.911131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.911131 (E_RNA)
where:
Base-Base interactions energy: -312.751
where: short stacking energy: -136.126
Base-Backbone interact. energy: 0.722
local terms energy: -209.882007
where:
bonds (distance) C4'-P energy: -55.732
bonds (distance) P-C4' energy: -51.150
flat angles C4'-P-C4' energy: -63.460
flat angles P-C4'-P energy: -36.939
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: 8
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -480.169176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.169176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.169176 (E_RNA)
where:
Base-Base interactions energy: -247.358
where: short stacking energy: -127.958
Base-Backbone interact. energy: -0.318
local terms energy: -232.493703
where:
bonds (distance) C4'-P energy: -57.976
bonds (distance) P-C4' energy: -60.229
flat angles C4'-P-C4' energy: -55.516
flat angles P-C4'-P energy: -41.703
tors. eta vs tors. theta energy: -17.070
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: 10, replica: 6
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -279.463081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.463081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.463081 (E_RNA)
where:
Base-Base interactions energy: -97.427
where: short stacking energy: -81.434
Base-Backbone interact. energy: -1.334
local terms energy: -180.702716
where:
bonds (distance) C4'-P energy: -42.132
bonds (distance) P-C4' energy: -65.560
flat angles C4'-P-C4' energy: -62.226
flat angles P-C4'-P energy: -14.207
tors. eta vs tors. theta energy: 3.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1309.916704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.916704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.916704 (E_RNA)
where:
Base-Base interactions energy: -889.165
where: short stacking energy: -405.465
Base-Backbone interact. energy: -0.639
local terms energy: -420.112085
where:
bonds (distance) C4'-P energy: -76.840
bonds (distance) P-C4' energy: -76.466
flat angles C4'-P-C4' energy: -85.137
flat angles P-C4'-P energy: -59.915
tors. eta vs tors. theta energy: -121.753
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: 7
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1214.272798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.272798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.272798 (E_RNA)
where:
Base-Base interactions energy: -844.380
where: short stacking energy: -346.803
Base-Backbone interact. energy: -2.216
local terms energy: -367.676664
where:
bonds (distance) C4'-P energy: -69.430
bonds (distance) P-C4' energy: -63.924
flat angles C4'-P-C4' energy: -80.622
flat angles P-C4'-P energy: -59.619
tors. eta vs tors. theta energy: -94.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1181.296949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.296949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.296949 (E_RNA)
where:
Base-Base interactions energy: -798.023
where: short stacking energy: -349.827
Base-Backbone interact. energy: -1.750
local terms energy: -381.523607
where:
bonds (distance) C4'-P energy: -62.834
bonds (distance) P-C4' energy: -74.832
flat angles C4'-P-C4' energy: -79.771
flat angles P-C4'-P energy: -48.682
tors. eta vs tors. theta energy: -115.405
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: 2
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -1147.240458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.240458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.240458 (E_RNA)
where:
Base-Base interactions energy: -813.159
where: short stacking energy: -324.842
Base-Backbone interact. energy: -1.250
local terms energy: -332.831581
where:
bonds (distance) C4'-P energy: -62.488
bonds (distance) P-C4' energy: -62.888
flat angles C4'-P-C4' energy: -72.133
flat angles P-C4'-P energy: -44.397
tors. eta vs tors. theta energy: -90.926
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: 3
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1012.281202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.281202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.281202 (E_RNA)
where:
Base-Base interactions energy: -690.462
where: short stacking energy: -291.309
Base-Backbone interact. energy: -0.777
local terms energy: -321.042172
where:
bonds (distance) C4'-P energy: -73.366
bonds (distance) P-C4' energy: -50.932
flat angles C4'-P-C4' energy: -71.283
flat angles P-C4'-P energy: -43.241
tors. eta vs tors. theta energy: -82.219
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: 243
Temperature: 1.150000
Total energy: -863.128598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.128598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.128598 (E_RNA)
where:
Base-Base interactions energy: -540.945
where: short stacking energy: -257.207
Base-Backbone interact. energy: -1.168
local terms energy: -321.015885
where:
bonds (distance) C4'-P energy: -68.917
bonds (distance) P-C4' energy: -67.885
flat angles C4'-P-C4' energy: -71.104
flat angles P-C4'-P energy: -46.091
tors. eta vs tors. theta energy: -67.020
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: 7, replica: 5
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -780.960033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.960033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.960033 (E_RNA)
where:
Base-Base interactions energy: -522.621
where: short stacking energy: -228.375
Base-Backbone interact. energy: 2.011
local terms energy: -260.350096
where:
bonds (distance) C4'-P energy: -64.018
bonds (distance) P-C4' energy: -54.949
flat angles C4'-P-C4' energy: -65.780
flat angles P-C4'-P energy: -34.499
tors. eta vs tors. theta energy: -41.104
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: 4
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -522.195953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.195953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.195953 (E_RNA)
where:
Base-Base interactions energy: -289.706
where: short stacking energy: -147.268
Base-Backbone interact. energy: 1.534
local terms energy: -234.023731
where:
bonds (distance) C4'-P energy: -50.003
bonds (distance) P-C4' energy: -72.618
flat angles C4'-P-C4' energy: -51.406
flat angles P-C4'-P energy: -43.345
tors. eta vs tors. theta energy: -16.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -489.517033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.517033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.517033 (E_RNA)
where:
Base-Base interactions energy: -251.312
where: short stacking energy: -116.900
Base-Backbone interact. energy: 1.221
local terms energy: -239.425758
where:
bonds (distance) C4'-P energy: -52.033
bonds (distance) P-C4' energy: -68.645
flat angles C4'-P-C4' energy: -64.323
flat angles P-C4'-P energy: -45.297
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: 10, replica: 6
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -318.626753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.626753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.626753 (E_RNA)
where:
Base-Base interactions energy: -123.439
where: short stacking energy: -106.906
Base-Backbone interact. energy: 0.171
local terms energy: -195.358803
where:
bonds (distance) C4'-P energy: -61.044
bonds (distance) P-C4' energy: -59.443
flat angles C4'-P-C4' energy: -45.226
flat angles P-C4'-P energy: -35.193
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: 9
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1286.433310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.433310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.433310 (E_RNA)
where:
Base-Base interactions energy: -872.012
where: short stacking energy: -389.448
Base-Backbone interact. energy: -1.246
local terms energy: -413.175224
where:
bonds (distance) C4'-P energy: -72.133
bonds (distance) P-C4' energy: -77.512
flat angles C4'-P-C4' energy: -93.124
flat angles P-C4'-P energy: -50.573
tors. eta vs tors. theta energy: -119.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1199.383335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.383335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.383335 (E_RNA)
where:
Base-Base interactions energy: -825.195
where: short stacking energy: -350.228
Base-Backbone interact. energy: -2.300
local terms energy: -371.888156
where:
bonds (distance) C4'-P energy: -78.023
bonds (distance) P-C4' energy: -77.522
flat angles C4'-P-C4' energy: -79.183
flat angles P-C4'-P energy: -37.568
tors. eta vs tors. theta energy: -99.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1190.266972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.266972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.266972 (E_RNA)
where:
Base-Base interactions energy: -823.137
where: short stacking energy: -355.890
Base-Backbone interact. energy: -2.182
local terms energy: -364.947886
where:
bonds (distance) C4'-P energy: -68.859
bonds (distance) P-C4' energy: -65.765
flat angles C4'-P-C4' energy: -69.425
flat angles P-C4'-P energy: -51.060
tors. eta vs tors. theta energy: -109.839
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: 4, replica: 2
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -1153.700074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.700074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.700074 (E_RNA)
where:
Base-Base interactions energy: -782.255
where: short stacking energy: -327.670
Base-Backbone interact. energy: 0.569
local terms energy: -372.014538
where:
bonds (distance) C4'-P energy: -71.833
bonds (distance) P-C4' energy: -69.258
flat angles C4'-P-C4' energy: -76.923
flat angles P-C4'-P energy: -55.586
tors. eta vs tors. theta energy: -98.415
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: 3
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1033.630256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.630256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.630256 (E_RNA)
where:
Base-Base interactions energy: -684.333
where: short stacking energy: -291.540
Base-Backbone interact. energy: -1.536
local terms energy: -347.761700
where:
bonds (distance) C4'-P energy: -69.180
bonds (distance) P-C4' energy: -75.698
flat angles C4'-P-C4' energy: -72.153
flat angles P-C4'-P energy: -40.099
tors. eta vs tors. theta energy: -90.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -851.829649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.829649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.829649 (E_RNA)
where:
Base-Base interactions energy: -543.801
where: short stacking energy: -244.595
Base-Backbone interact. energy: -0.025
local terms energy: -308.003939
where:
bonds (distance) C4'-P energy: -68.210
bonds (distance) P-C4' energy: -68.128
flat angles C4'-P-C4' energy: -74.045
flat angles P-C4'-P energy: -45.880
tors. eta vs tors. theta energy: -51.741
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: 5
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -717.539225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.539225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.539225 (E_RNA)
where:
Base-Base interactions energy: -457.483
where: short stacking energy: -188.847
Base-Backbone interact. energy: 5.340
local terms energy: -265.396340
where:
bonds (distance) C4'-P energy: -46.385
bonds (distance) P-C4' energy: -62.685
flat angles C4'-P-C4' energy: -69.405
flat angles P-C4'-P energy: -38.724
tors. eta vs tors. theta energy: -48.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -507.182558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.182558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.182558 (E_RNA)
where:
Base-Base interactions energy: -285.889
where: short stacking energy: -152.467
Base-Backbone interact. energy: 1.221
local terms energy: -222.514927
where:
bonds (distance) C4'-P energy: -50.853
bonds (distance) P-C4' energy: -63.763
flat angles C4'-P-C4' energy: -58.018
flat angles P-C4'-P energy: -34.814
tors. eta vs tors. theta energy: -15.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -487.190272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.190272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.190272 (E_RNA)
where:
Base-Base interactions energy: -248.875
where: short stacking energy: -136.368
Base-Backbone interact. energy: 3.127
local terms energy: -241.441927
where:
bonds (distance) C4'-P energy: -69.941
bonds (distance) P-C4' energy: -62.623
flat angles C4'-P-C4' energy: -62.601
flat angles P-C4'-P energy: -33.420
tors. eta vs tors. theta energy: -12.858
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: 244
Temperature: 1.350000
Total energy: -286.191942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.191942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.191942 (E_RNA)
where:
Base-Base interactions energy: -101.690
where: short stacking energy: -88.817
Base-Backbone interact. energy: 0.288
local terms energy: -184.790240
where:
bonds (distance) C4'-P energy: -67.376
bonds (distance) P-C4' energy: -52.826
flat angles C4'-P-C4' energy: -45.118
flat angles P-C4'-P energy: -27.402
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: 1, replica: 9
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1298.339777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.339777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.339777 (E_RNA)
where:
Base-Base interactions energy: -894.031
where: short stacking energy: -378.383
Base-Backbone interact. energy: -1.223
local terms energy: -403.085963
where:
bonds (distance) C4'-P energy: -73.304
bonds (distance) P-C4' energy: -76.346
flat angles C4'-P-C4' energy: -80.382
flat angles P-C4'-P energy: -57.821
tors. eta vs tors. theta energy: -115.233
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: 1
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1204.434452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.434452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.434452 (E_RNA)
where:
Base-Base interactions energy: -810.139
where: short stacking energy: -339.111
Base-Backbone interact. energy: -3.331
local terms energy: -390.964797
where:
bonds (distance) C4'-P energy: -75.622
bonds (distance) P-C4' energy: -75.090
flat angles C4'-P-C4' energy: -88.594
flat angles P-C4'-P energy: -49.724
tors. eta vs tors. theta energy: -101.935
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: 7
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1151.925519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.925519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.925519 (E_RNA)
where:
Base-Base interactions energy: -805.876
where: short stacking energy: -310.356
Base-Backbone interact. energy: 0.225
local terms energy: -346.273886
where:
bonds (distance) C4'-P energy: -61.252
bonds (distance) P-C4' energy: -69.545
flat angles C4'-P-C4' energy: -80.653
flat angles P-C4'-P energy: -47.131
tors. eta vs tors. theta energy: -87.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1136.001938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.001938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.001938 (E_RNA)
where:
Base-Base interactions energy: -773.354
where: short stacking energy: -311.998
Base-Backbone interact. energy: -2.480
local terms energy: -360.168774
where:
bonds (distance) C4'-P energy: -63.511
bonds (distance) P-C4' energy: -65.956
flat angles C4'-P-C4' energy: -77.943
flat angles P-C4'-P energy: -56.304
tors. eta vs tors. theta energy: -96.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1043.875818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.875818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.875818 (E_RNA)
where:
Base-Base interactions energy: -704.516
where: short stacking energy: -301.792
Base-Backbone interact. energy: -1.622
local terms energy: -337.737324
where:
bonds (distance) C4'-P energy: -59.818
bonds (distance) P-C4' energy: -73.966
flat angles C4'-P-C4' energy: -73.137
flat angles P-C4'-P energy: -49.043
tors. eta vs tors. theta energy: -81.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -854.635062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.635062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.635062 (E_RNA)
where:
Base-Base interactions energy: -562.986
where: short stacking energy: -251.694
Base-Backbone interact. energy: -1.535
local terms energy: -290.113703
where:
bonds (distance) C4'-P energy: -54.485
bonds (distance) P-C4' energy: -71.082
flat angles C4'-P-C4' energy: -58.346
flat angles P-C4'-P energy: -45.823
tors. eta vs tors. theta energy: -60.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -746.633543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.633543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.633543 (E_RNA)
where:
Base-Base interactions energy: -487.165
where: short stacking energy: -227.664
Base-Backbone interact. energy: 1.210
local terms energy: -260.678307
where:
bonds (distance) C4'-P energy: -50.038
bonds (distance) P-C4' energy: -57.091
flat angles C4'-P-C4' energy: -64.148
flat angles P-C4'-P energy: -36.565
tors. eta vs tors. theta energy: -52.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -536.479516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.479516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.479516 (E_RNA)
where:
Base-Base interactions energy: -282.323
where: short stacking energy: -143.173
Base-Backbone interact. energy: -2.525
local terms energy: -251.631291
where:
bonds (distance) C4'-P energy: -55.996
bonds (distance) P-C4' energy: -73.467
flat angles C4'-P-C4' energy: -61.696
flat angles P-C4'-P energy: -34.697
tors. eta vs tors. theta energy: -25.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -458.208686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.208686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.208686 (E_RNA)
where:
Base-Base interactions energy: -242.284
where: short stacking energy: -124.877
Base-Backbone interact. energy: -2.623
local terms energy: -213.300890
where:
bonds (distance) C4'-P energy: -62.016
bonds (distance) P-C4' energy: -56.745
flat angles C4'-P-C4' energy: -57.281
flat angles P-C4'-P energy: -22.762
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: 10, replica: 6
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -279.434060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.434060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.434060 (E_RNA)
where:
Base-Base interactions energy: -97.000
where: short stacking energy: -87.128
Base-Backbone interact. energy: -0.145
local terms energy: -182.288488
where:
bonds (distance) C4'-P energy: -47.810
bonds (distance) P-C4' energy: -61.400
flat angles C4'-P-C4' energy: -58.219
flat angles P-C4'-P energy: -30.719
tors. eta vs tors. theta energy: 15.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1278.983125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.983125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.983125 (E_RNA)
where:
Base-Base interactions energy: -848.803
where: short stacking energy: -365.674
Base-Backbone interact. energy: -0.394
local terms energy: -429.785457
where:
bonds (distance) C4'-P energy: -88.872
bonds (distance) P-C4' energy: -77.480
flat angles C4'-P-C4' energy: -87.882
flat angles P-C4'-P energy: -56.382
tors. eta vs tors. theta energy: -119.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1207.187068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.187068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.187068 (E_RNA)
where:
Base-Base interactions energy: -826.925
where: short stacking energy: -350.307
Base-Backbone interact. energy: -2.204
local terms energy: -378.058183
where:
bonds (distance) C4'-P energy: -78.544
bonds (distance) P-C4' energy: -62.230
flat angles C4'-P-C4' energy: -80.421
flat angles P-C4'-P energy: -46.557
tors. eta vs tors. theta energy: -110.306
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: 3, replica: 7
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1136.114834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.114834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.114834 (E_RNA)
where:
Base-Base interactions energy: -777.347
where: short stacking energy: -319.443
Base-Backbone interact. energy: 1.563
local terms energy: -360.331427
where:
bonds (distance) C4'-P energy: -68.216
bonds (distance) P-C4' energy: -75.115
flat angles C4'-P-C4' energy: -83.732
flat angles P-C4'-P energy: -43.804
tors. eta vs tors. theta energy: -89.466
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: 2
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1154.524983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.524983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.524983 (E_RNA)
where:
Base-Base interactions energy: -788.271
where: short stacking energy: -335.330
Base-Backbone interact. energy: 1.030
local terms energy: -367.284809
where:
bonds (distance) C4'-P energy: -54.272
bonds (distance) P-C4' energy: -79.647
flat angles C4'-P-C4' energy: -80.988
flat angles P-C4'-P energy: -59.667
tors. eta vs tors. theta energy: -92.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1032.204908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.204908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.204908 (E_RNA)
where:
Base-Base interactions energy: -703.811
where: short stacking energy: -286.003
Base-Backbone interact. energy: -1.741
local terms energy: -326.653108
where:
bonds (distance) C4'-P energy: -74.748
bonds (distance) P-C4' energy: -44.959
flat angles C4'-P-C4' energy: -77.656
flat angles P-C4'-P energy: -48.124
tors. eta vs tors. theta energy: -81.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -842.187757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.187757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.187757 (E_RNA)
where:
Base-Base interactions energy: -523.562
where: short stacking energy: -249.610
Base-Backbone interact. energy: -0.180
local terms energy: -318.445089
where:
bonds (distance) C4'-P energy: -68.093
bonds (distance) P-C4' energy: -60.995
flat angles C4'-P-C4' energy: -67.342
flat angles P-C4'-P energy: -48.292
tors. eta vs tors. theta energy: -73.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -741.856641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.856641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.856641 (E_RNA)
where:
Base-Base interactions energy: -475.774
where: short stacking energy: -211.235
Base-Backbone interact. energy: -2.458
local terms energy: -263.624406
where:
bonds (distance) C4'-P energy: -44.632
bonds (distance) P-C4' energy: -64.980
flat angles C4'-P-C4' energy: -66.680
flat angles P-C4'-P energy: -43.968
tors. eta vs tors. theta energy: -43.364
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: 246
Temperature: 1.250000
Total energy: -501.116511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.116511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.116511 (E_RNA)
where:
Base-Base interactions energy: -267.459
where: short stacking energy: -129.777
Base-Backbone interact. energy: -0.878
local terms energy: -232.780262
where:
bonds (distance) C4'-P energy: -40.049
bonds (distance) P-C4' energy: -69.313
flat angles C4'-P-C4' energy: -61.016
flat angles P-C4'-P energy: -42.975
tors. eta vs tors. theta energy: -19.427
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: 4
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -468.406317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.406317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.406317 (E_RNA)
where:
Base-Base interactions energy: -239.918
where: short stacking energy: -128.788
Base-Backbone interact. energy: -2.382
local terms energy: -226.106953
where:
bonds (distance) C4'-P energy: -60.039
bonds (distance) P-C4' energy: -58.549
flat angles C4'-P-C4' energy: -53.971
flat angles P-C4'-P energy: -44.554
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: 10, replica: 6
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -289.408462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.408462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.408462 (E_RNA)
where:
Base-Base interactions energy: -102.865
where: short stacking energy: -87.030
Base-Backbone interact. energy: 2.711
local terms energy: -189.254015
where:
bonds (distance) C4'-P energy: -67.106
bonds (distance) P-C4' energy: -59.147
flat angles C4'-P-C4' energy: -41.221
flat angles P-C4'-P energy: -28.565
tors. eta vs tors. theta energy: 6.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1284.861976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.861976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.861976 (E_RNA)
where:
Base-Base interactions energy: -869.289
where: short stacking energy: -387.646
Base-Backbone interact. energy: -1.029
local terms energy: -414.544081
where:
bonds (distance) C4'-P energy: -75.059
bonds (distance) P-C4' energy: -76.154
flat angles C4'-P-C4' energy: -83.374
flat angles P-C4'-P energy: -58.412
tors. eta vs tors. theta energy: -121.545
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: 2, replica: 1
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1225.122738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.122738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.122738 (E_RNA)
where:
Base-Base interactions energy: -849.438
where: short stacking energy: -344.609
Base-Backbone interact. energy: -2.067
local terms energy: -373.617532
where:
bonds (distance) C4'-P energy: -66.525
bonds (distance) P-C4' energy: -73.963
flat angles C4'-P-C4' energy: -77.642
flat angles P-C4'-P energy: -54.733
tors. eta vs tors. theta energy: -100.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1135.667863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.667863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.667863 (E_RNA)
where:
Base-Base interactions energy: -775.428
where: short stacking energy: -314.469
Base-Backbone interact. energy: -1.560
local terms energy: -358.680018
where:
bonds (distance) C4'-P energy: -73.388
bonds (distance) P-C4' energy: -68.373
flat angles C4'-P-C4' energy: -80.895
flat angles P-C4'-P energy: -57.359
tors. eta vs tors. theta energy: -78.665
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: 2
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1233.211393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.211393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.211393 (E_RNA)
where:
Base-Base interactions energy: -863.480
where: short stacking energy: -362.493
Base-Backbone interact. energy: -2.227
local terms energy: -367.504436
where:
bonds (distance) C4'-P energy: -71.168
bonds (distance) P-C4' energy: -59.220
flat angles C4'-P-C4' energy: -85.981
flat angles P-C4'-P energy: -49.013
tors. eta vs tors. theta energy: -102.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1057.083785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.083785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.083785 (E_RNA)
where:
Base-Base interactions energy: -712.840
where: short stacking energy: -299.038
Base-Backbone interact. energy: 0.465
local terms energy: -344.708486
where:
bonds (distance) C4'-P energy: -68.980
bonds (distance) P-C4' energy: -76.340
flat angles C4'-P-C4' energy: -74.837
flat angles P-C4'-P energy: -45.602
tors. eta vs tors. theta energy: -78.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -867.991867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.991867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.991867 (E_RNA)
where:
Base-Base interactions energy: -546.992
where: short stacking energy: -267.446
Base-Backbone interact. energy: 2.635
local terms energy: -323.634943
where:
bonds (distance) C4'-P energy: -77.489
bonds (distance) P-C4' energy: -63.272
flat angles C4'-P-C4' energy: -63.933
flat angles P-C4'-P energy: -51.543
tors. eta vs tors. theta energy: -67.399
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: 5
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -692.054996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.054996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.054996 (E_RNA)
where:
Base-Base interactions energy: -404.182
where: short stacking energy: -199.663
Base-Backbone interact. energy: -1.355
local terms energy: -286.518288
where:
bonds (distance) C4'-P energy: -65.402
bonds (distance) P-C4' energy: -64.478
flat angles C4'-P-C4' energy: -64.817
flat angles P-C4'-P energy: -45.164
tors. eta vs tors. theta energy: -46.658
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: 8, replica: 4
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -505.078037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.078037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.078037 (E_RNA)
where:
Base-Base interactions energy: -281.521
where: short stacking energy: -151.634
Base-Backbone interact. energy: -1.816
local terms energy: -221.741249
where:
bonds (distance) C4'-P energy: -63.290
bonds (distance) P-C4' energy: -63.327
flat angles C4'-P-C4' energy: -50.019
flat angles P-C4'-P energy: -28.438
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: 9, replica: 8
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -467.130093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.130093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.130093 (E_RNA)
where:
Base-Base interactions energy: -251.496
where: short stacking energy: -131.930
Base-Backbone interact. energy: -0.285
local terms energy: -215.349460
where:
bonds (distance) C4'-P energy: -63.210
bonds (distance) P-C4' energy: -56.859
flat angles C4'-P-C4' energy: -64.949
flat angles P-C4'-P energy: -26.435
tors. eta vs tors. theta energy: -3.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -301.351555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.351555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.351555 (E_RNA)
where:
Base-Base interactions energy: -83.760
where: short stacking energy: -73.412
Base-Backbone interact. energy: 1.674
local terms energy: -219.265627
where:
bonds (distance) C4'-P energy: -70.077
bonds (distance) P-C4' energy: -56.703
flat angles C4'-P-C4' energy: -49.041
flat angles P-C4'-P energy: -42.249
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: 1, replica: 9
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1306.821194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.821194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.821194 (E_RNA)
where:
Base-Base interactions energy: -884.789
where: short stacking energy: -386.997
Base-Backbone interact. energy: 0.527
local terms energy: -422.559416
where:
bonds (distance) C4'-P energy: -82.658
bonds (distance) P-C4' energy: -71.558
flat angles C4'-P-C4' energy: -87.664
flat angles P-C4'-P energy: -63.908
tors. eta vs tors. theta energy: -116.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1203.029784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.029784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.029784 (E_RNA)
where:
Base-Base interactions energy: -834.136
where: short stacking energy: -351.476
Base-Backbone interact. energy: -0.840
local terms energy: -368.053311
where:
bonds (distance) C4'-P energy: -71.474
bonds (distance) P-C4' energy: -54.826
flat angles C4'-P-C4' energy: -69.305
flat angles P-C4'-P energy: -62.897
tors. eta vs tors. theta energy: -109.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1210.846355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.846355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.846355 (E_RNA)
where:
Base-Base interactions energy: -833.852
where: short stacking energy: -334.179
Base-Backbone interact. energy: -0.839
local terms energy: -376.155611
where:
bonds (distance) C4'-P energy: -65.468
bonds (distance) P-C4' energy: -76.684
flat angles C4'-P-C4' energy: -78.234
flat angles P-C4'-P energy: -48.443
tors. eta vs tors. theta energy: -107.326
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: 4, replica: 7
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1135.899237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.899237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.899237 (E_RNA)
where:
Base-Base interactions energy: -785.601
where: short stacking energy: -310.061
Base-Backbone interact. energy: -2.669
local terms energy: -347.629444
where:
bonds (distance) C4'-P energy: -57.489
bonds (distance) P-C4' energy: -67.684
flat angles C4'-P-C4' energy: -84.394
flat angles P-C4'-P energy: -51.344
tors. eta vs tors. theta energy: -86.719
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: 5, replica: 3
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1038.246980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.246980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.246980 (E_RNA)
where:
Base-Base interactions energy: -688.525
where: short stacking energy: -279.230
Base-Backbone interact. energy: -1.631
local terms energy: -348.091291
where:
bonds (distance) C4'-P energy: -61.402
bonds (distance) P-C4' energy: -82.683
flat angles C4'-P-C4' energy: -75.632
flat angles P-C4'-P energy: -43.723
tors. eta vs tors. theta energy: -84.651
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: 10
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -849.303392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.303392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.303392 (E_RNA)
where:
Base-Base interactions energy: -523.244
where: short stacking energy: -249.929
Base-Backbone interact. energy: 1.177
local terms energy: -327.236810
where:
bonds (distance) C4'-P energy: -67.780
bonds (distance) P-C4' energy: -67.838
flat angles C4'-P-C4' energy: -78.683
flat angles P-C4'-P energy: -45.787
tors. eta vs tors. theta energy: -67.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -681.499696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.499696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.499696 (E_RNA)
where:
Base-Base interactions energy: -418.535
where: short stacking energy: -186.480
Base-Backbone interact. energy: -1.198
local terms energy: -261.766408
where:
bonds (distance) C4'-P energy: -67.172
bonds (distance) P-C4' energy: -63.321
flat angles C4'-P-C4' energy: -56.343
flat angles P-C4'-P energy: -34.029
tors. eta vs tors. theta energy: -40.902
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: 4
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -490.578615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.578615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.578615 (E_RNA)
where:
Base-Base interactions energy: -252.896
where: short stacking energy: -151.247
Base-Backbone interact. energy: 3.807
local terms energy: -241.489222
where:
bonds (distance) C4'-P energy: -63.923
bonds (distance) P-C4' energy: -66.307
flat angles C4'-P-C4' energy: -58.700
flat angles P-C4'-P energy: -39.393
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: 9, replica: 8
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -527.250440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.250440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.250440 (E_RNA)
where:
Base-Base interactions energy: -302.339
where: short stacking energy: -156.893
Base-Backbone interact. energy: -2.246
local terms energy: -222.665851
where:
bonds (distance) C4'-P energy: -58.472
bonds (distance) P-C4' energy: -66.797
flat angles C4'-P-C4' energy: -55.064
flat angles P-C4'-P energy: -23.475
tors. eta vs tors. theta energy: -18.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -307.692044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.692044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.692044 (E_RNA)
where:
Base-Base interactions energy: -105.032
where: short stacking energy: -104.640
Base-Backbone interact. energy: 3.875
local terms energy: -206.535394
where:
bonds (distance) C4'-P energy: -55.622
bonds (distance) P-C4' energy: -65.371
flat angles C4'-P-C4' energy: -60.567
flat angles P-C4'-P energy: -22.944
tors. eta vs tors. theta energy: -2.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1306.434610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.434610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.434610 (E_RNA)
where:
Base-Base interactions energy: -897.085
where: short stacking energy: -397.547
Base-Backbone interact. energy: 0.432
local terms energy: -409.782102
where:
bonds (distance) C4'-P energy: -76.951
bonds (distance) P-C4' energy: -71.282
flat angles C4'-P-C4' energy: -87.835
flat angles P-C4'-P energy: -53.865
tors. eta vs tors. theta energy: -119.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1253.941458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.941458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.941458 (E_RNA)
where:
Base-Base interactions energy: -857.087
where: short stacking energy: -352.258
Base-Backbone interact. energy: -3.122
local terms energy: -393.732331
where:
bonds (distance) C4'-P energy: -76.540
bonds (distance) P-C4' energy: -79.043
flat angles C4'-P-C4' energy: -75.680
flat angles P-C4'-P energy: -52.847
tors. eta vs tors. theta energy: -109.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1192.189600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.189600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.189600 (E_RNA)
where:
Base-Base interactions energy: -811.794
where: short stacking energy: -338.811
Base-Backbone interact. energy: -3.520
local terms energy: -376.875694
where:
bonds (distance) C4'-P energy: -76.707
bonds (distance) P-C4' energy: -65.250
flat angles C4'-P-C4' energy: -82.387
flat angles P-C4'-P energy: -54.588
tors. eta vs tors. theta energy: -97.943
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: 7
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1116.341351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.341351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.341351 (E_RNA)
where:
Base-Base interactions energy: -752.561
where: short stacking energy: -304.906
Base-Backbone interact. energy: 3.640
local terms energy: -367.420038
where:
bonds (distance) C4'-P energy: -74.217
bonds (distance) P-C4' energy: -83.138
flat angles C4'-P-C4' energy: -62.785
flat angles P-C4'-P energy: -55.530
tors. eta vs tors. theta energy: -91.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1057.440625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.440625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.440625 (E_RNA)
where:
Base-Base interactions energy: -723.388
where: short stacking energy: -322.083
Base-Backbone interact. energy: -1.696
local terms energy: -332.356811
where:
bonds (distance) C4'-P energy: -59.532
bonds (distance) P-C4' energy: -72.914
flat angles C4'-P-C4' energy: -72.413
flat angles P-C4'-P energy: -46.592
tors. eta vs tors. theta energy: -80.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -836.016794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.016794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.016794 (E_RNA)
where:
Base-Base interactions energy: -537.873
where: short stacking energy: -255.535
Base-Backbone interact. energy: -0.145
local terms energy: -297.998725
where:
bonds (distance) C4'-P energy: -56.647
bonds (distance) P-C4' energy: -70.486
flat angles C4'-P-C4' energy: -65.304
flat angles P-C4'-P energy: -44.322
tors. eta vs tors. theta energy: -61.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -755.219942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.219942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.219942 (E_RNA)
where:
Base-Base interactions energy: -495.497
where: short stacking energy: -224.254
Base-Backbone interact. energy: 0.107
local terms energy: -259.830233
where:
bonds (distance) C4'-P energy: -57.633
bonds (distance) P-C4' energy: -67.201
flat angles C4'-P-C4' energy: -59.116
flat angles P-C4'-P energy: -19.541
tors. eta vs tors. theta energy: -56.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -536.039670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.039670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.039670 (E_RNA)
where:
Base-Base interactions energy: -296.769
where: short stacking energy: -149.499
Base-Backbone interact. energy: 0.346
local terms energy: -239.616536
where:
bonds (distance) C4'-P energy: -56.588
bonds (distance) P-C4' energy: -56.055
flat angles C4'-P-C4' energy: -65.463
flat angles P-C4'-P energy: -45.331
tors. eta vs tors. theta energy: -16.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -442.888203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.888203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.888203 (E_RNA)
where:
Base-Base interactions energy: -225.801
where: short stacking energy: -117.785
Base-Backbone interact. energy: 1.006
local terms energy: -218.093866
where:
bonds (distance) C4'-P energy: -56.772
bonds (distance) P-C4' energy: -65.081
flat angles C4'-P-C4' energy: -54.787
flat angles P-C4'-P energy: -31.592
tors. eta vs tors. theta energy: -9.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -272.375849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.375849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.375849 (E_RNA)
where:
Base-Base interactions energy: -88.735
where: short stacking energy: -74.214
Base-Backbone interact. energy: -0.906
local terms energy: -182.734169
where:
bonds (distance) C4'-P energy: -47.875
bonds (distance) P-C4' energy: -60.405
flat angles C4'-P-C4' energy: -59.973
flat angles P-C4'-P energy: -44.282
tors. eta vs tors. theta energy: 29.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1297.173878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.173878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.173878 (E_RNA)
where:
Base-Base interactions energy: -901.016
where: short stacking energy: -374.190
Base-Backbone interact. energy: -1.375
local terms energy: -394.782373
where:
bonds (distance) C4'-P energy: -66.051
bonds (distance) P-C4' energy: -73.184
flat angles C4'-P-C4' energy: -81.409
flat angles P-C4'-P energy: -60.240
tors. eta vs tors. theta energy: -113.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1273.843083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.843083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.843083 (E_RNA)
where:
Base-Base interactions energy: -880.209
where: short stacking energy: -380.227
Base-Backbone interact. energy: -0.675
local terms energy: -392.959437
where:
bonds (distance) C4'-P energy: -66.613
bonds (distance) P-C4' energy: -72.627
flat angles C4'-P-C4' energy: -81.243
flat angles P-C4'-P energy: -55.117
tors. eta vs tors. theta energy: -117.359
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: 1
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1231.590468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.590468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.590468 (E_RNA)
where:
Base-Base interactions energy: -844.319
where: short stacking energy: -356.948
Base-Backbone interact. energy: -1.408
local terms energy: -385.864088
where:
bonds (distance) C4'-P energy: -69.797
bonds (distance) P-C4' energy: -74.808
flat angles C4'-P-C4' energy: -76.473
flat angles P-C4'-P energy: -56.041
tors. eta vs tors. theta energy: -108.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1101.274442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.274442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.274442 (E_RNA)
where:
Base-Base interactions energy: -738.769
where: short stacking energy: -314.850
Base-Backbone interact. energy: 0.099
local terms energy: -362.604826
where:
bonds (distance) C4'-P energy: -69.403
bonds (distance) P-C4' energy: -68.121
flat angles C4'-P-C4' energy: -77.772
flat angles P-C4'-P energy: -53.652
tors. eta vs tors. theta energy: -93.657
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: 250
Temperature: 1.100000
Total energy: -1034.388913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.388913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.388913 (E_RNA)
where:
Base-Base interactions energy: -696.981
where: short stacking energy: -291.397
Base-Backbone interact. energy: -1.198
local terms energy: -336.210149
where:
bonds (distance) C4'-P energy: -67.469
bonds (distance) P-C4' energy: -72.748
flat angles C4'-P-C4' energy: -61.794
flat angles P-C4'-P energy: -50.810
tors. eta vs tors. theta energy: -83.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -826.726413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.726413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.726413 (E_RNA)
where:
Base-Base interactions energy: -515.597
where: short stacking energy: -240.507
Base-Backbone interact. energy: -1.354
local terms energy: -309.775943
where:
bonds (distance) C4'-P energy: -60.981
bonds (distance) P-C4' energy: -65.899
flat angles C4'-P-C4' energy: -74.628
flat angles P-C4'-P energy: -46.537
tors. eta vs tors. theta energy: -61.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -803.087405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.087405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.087405 (E_RNA)
where:
Base-Base interactions energy: -520.224
where: short stacking energy: -228.056
Base-Backbone interact. energy: 1.113
local terms energy: -283.976520
where:
bonds (distance) C4'-P energy: -61.203
bonds (distance) P-C4' energy: -56.822
flat angles C4'-P-C4' energy: -73.709
flat angles P-C4'-P energy: -36.790
tors. eta vs tors. theta energy: -55.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -553.234624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.234624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.234624 (E_RNA)
where:
Base-Base interactions energy: -310.414
where: short stacking energy: -135.152
Base-Backbone interact. energy: 0.304
local terms energy: -243.124739
where:
bonds (distance) C4'-P energy: -63.853
bonds (distance) P-C4' energy: -81.176
flat angles C4'-P-C4' energy: -57.227
flat angles P-C4'-P energy: -23.556
tors. eta vs tors. theta energy: -17.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -482.454027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.454027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.454027 (E_RNA)
where:
Base-Base interactions energy: -287.745
where: short stacking energy: -124.760
Base-Backbone interact. energy: 6.353
local terms energy: -201.062134
where:
bonds (distance) C4'-P energy: -61.969
bonds (distance) P-C4' energy: -61.053
flat angles C4'-P-C4' energy: -39.311
flat angles P-C4'-P energy: -24.604
tors. eta vs tors. theta energy: -14.125
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: 250
Temperature: 1.350000
Total energy: -293.987089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.987089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.987089 (E_RNA)
where:
Base-Base interactions energy: -97.289
where: short stacking energy: -72.100
Base-Backbone interact. energy: -1.806
local terms energy: -194.891244
where:
bonds (distance) C4'-P energy: -62.519
bonds (distance) P-C4' energy: -57.257
flat angles C4'-P-C4' energy: -51.909
flat angles P-C4'-P energy: -35.042
tors. eta vs tors. theta energy: 11.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1289.101707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.101707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.101707 (E_RNA)
where:
Base-Base interactions energy: -903.807
where: short stacking energy: -379.293
Base-Backbone interact. energy: -0.237
local terms energy: -385.058530
where:
bonds (distance) C4'-P energy: -70.433
bonds (distance) P-C4' energy: -73.806
flat angles C4'-P-C4' energy: -78.201
flat angles P-C4'-P energy: -51.256
tors. eta vs tors. theta energy: -111.363
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: 1
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1254.060479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.060479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.060479 (E_RNA)
where:
Base-Base interactions energy: -851.172
where: short stacking energy: -351.992
Base-Backbone interact. energy: -3.595
local terms energy: -399.293634
where:
bonds (distance) C4'-P energy: -72.766
bonds (distance) P-C4' energy: -73.152
flat angles C4'-P-C4' energy: -76.034
flat angles P-C4'-P energy: -62.201
tors. eta vs tors. theta energy: -115.141
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: 9
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1247.547824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.547824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.547824 (E_RNA)
where:
Base-Base interactions energy: -855.277
where: short stacking energy: -365.751
Base-Backbone interact. energy: -0.844
local terms energy: -391.427173
where:
bonds (distance) C4'-P energy: -67.511
bonds (distance) P-C4' energy: -74.543
flat angles C4'-P-C4' energy: -85.387
flat angles P-C4'-P energy: -47.032
tors. eta vs tors. theta energy: -116.954
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: 4, replica: 7
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1127.913201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.913201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.913201 (E_RNA)
where:
Base-Base interactions energy: -772.896
where: short stacking energy: -305.235
Base-Backbone interact. energy: -2.225
local terms energy: -352.791960
where:
bonds (distance) C4'-P energy: -63.366
bonds (distance) P-C4' energy: -72.767
flat angles C4'-P-C4' energy: -81.552
flat angles P-C4'-P energy: -47.518
tors. eta vs tors. theta energy: -87.589
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: 251
Temperature: 1.100000
Total energy: -1059.802114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.802114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.802114 (E_RNA)
where:
Base-Base interactions energy: -727.419
where: short stacking energy: -282.649
Base-Backbone interact. energy: -1.833
local terms energy: -330.550570
where:
bonds (distance) C4'-P energy: -58.087
bonds (distance) P-C4' energy: -72.563
flat angles C4'-P-C4' energy: -70.292
flat angles P-C4'-P energy: -46.195
tors. eta vs tors. theta energy: -83.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -858.058735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.058735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.058735 (E_RNA)
where:
Base-Base interactions energy: -553.215
where: short stacking energy: -252.239
Base-Backbone interact. energy: 1.999
local terms energy: -306.843165
where:
bonds (distance) C4'-P energy: -63.032
bonds (distance) P-C4' energy: -78.486
flat angles C4'-P-C4' energy: -64.215
flat angles P-C4'-P energy: -38.316
tors. eta vs tors. theta energy: -62.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -748.497503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.497503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.497503 (E_RNA)
where:
Base-Base interactions energy: -453.256
where: short stacking energy: -208.656
Base-Backbone interact. energy: -0.666
local terms energy: -294.575687
where:
bonds (distance) C4'-P energy: -58.996
bonds (distance) P-C4' energy: -66.763
flat angles C4'-P-C4' energy: -67.316
flat angles P-C4'-P energy: -45.105
tors. eta vs tors. theta energy: -56.396
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: 8
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -589.847325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.847325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.847325 (E_RNA)
where:
Base-Base interactions energy: -321.552
where: short stacking energy: -182.106
Base-Backbone interact. energy: 0.738
local terms energy: -269.033390
where:
bonds (distance) C4'-P energy: -65.918
bonds (distance) P-C4' energy: -74.410
flat angles C4'-P-C4' energy: -59.576
flat angles P-C4'-P energy: -32.051
tors. eta vs tors. theta energy: -37.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -416.727462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.727462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.727462 (E_RNA)
where:
Base-Base interactions energy: -188.144
where: short stacking energy: -124.544
Base-Backbone interact. energy: -1.594
local terms energy: -226.989039
where:
bonds (distance) C4'-P energy: -62.076
bonds (distance) P-C4' energy: -65.045
flat angles C4'-P-C4' energy: -67.824
flat angles P-C4'-P energy: -29.540
tors. eta vs tors. theta energy: -2.504
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: 6
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -302.254596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.254596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.254596 (E_RNA)
where:
Base-Base interactions energy: -107.904
where: short stacking energy: -80.270
Base-Backbone interact. energy: -1.155
local terms energy: -193.196454
where:
bonds (distance) C4'-P energy: -59.756
bonds (distance) P-C4' energy: -74.342
flat angles C4'-P-C4' energy: -33.510
flat angles P-C4'-P energy: -33.846
tors. eta vs tors. theta energy: 8.258
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: 1, replica: 2
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1290.632666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.632666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.632666 (E_RNA)
where:
Base-Base interactions energy: -886.945
where: short stacking energy: -368.763
Base-Backbone interact. energy: -1.910
local terms energy: -401.776837
where:
bonds (distance) C4'-P energy: -79.627
bonds (distance) P-C4' energy: -81.801
flat angles C4'-P-C4' energy: -77.223
flat angles P-C4'-P energy: -57.983
tors. eta vs tors. theta energy: -105.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1282.341804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.341804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.341804 (E_RNA)
where:
Base-Base interactions energy: -886.644
where: short stacking energy: -353.121
Base-Backbone interact. energy: -2.433
local terms energy: -393.264069
where:
bonds (distance) C4'-P energy: -66.668
bonds (distance) P-C4' energy: -75.584
flat angles C4'-P-C4' energy: -82.301
flat angles P-C4'-P energy: -63.472
tors. eta vs tors. theta energy: -105.240
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: 252
Temperature: 1.000000
Total energy: -1199.967667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.967667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.967667 (E_RNA)
where:
Base-Base interactions energy: -837.175
where: short stacking energy: -348.046
Base-Backbone interact. energy: -1.652
local terms energy: -361.140611
where:
bonds (distance) C4'-P energy: -53.796
bonds (distance) P-C4' energy: -68.124
flat angles C4'-P-C4' energy: -80.305
flat angles P-C4'-P energy: -53.332
tors. eta vs tors. theta energy: -105.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1132.189527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.189527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.189527 (E_RNA)
where:
Base-Base interactions energy: -773.852
where: short stacking energy: -310.229
Base-Backbone interact. energy: 2.779
local terms energy: -361.116529
where:
bonds (distance) C4'-P energy: -64.232
bonds (distance) P-C4' energy: -78.103
flat angles C4'-P-C4' energy: -82.183
flat angles P-C4'-P energy: -48.211
tors. eta vs tors. theta energy: -88.387
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: 3
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1082.923552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.923552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.923552 (E_RNA)
where:
Base-Base interactions energy: -763.096
where: short stacking energy: -327.015
Base-Backbone interact. energy: -0.115
local terms energy: -319.713403
where:
bonds (distance) C4'-P energy: -50.735
bonds (distance) P-C4' energy: -66.075
flat angles C4'-P-C4' energy: -63.443
flat angles P-C4'-P energy: -38.958
tors. eta vs tors. theta energy: -100.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -889.747461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.747461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.747461 (E_RNA)
where:
Base-Base interactions energy: -554.676
where: short stacking energy: -275.901
Base-Backbone interact. energy: 0.251
local terms energy: -335.322289
where:
bonds (distance) C4'-P energy: -57.717
bonds (distance) P-C4' energy: -72.716
flat angles C4'-P-C4' energy: -69.247
flat angles P-C4'-P energy: -49.715
tors. eta vs tors. theta energy: -85.928
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: 5
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -773.372550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.372550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.372550 (E_RNA)
where:
Base-Base interactions energy: -505.281
where: short stacking energy: -187.630
Base-Backbone interact. energy: 0.247
local terms energy: -268.338264
where:
bonds (distance) C4'-P energy: -66.087
bonds (distance) P-C4' energy: -63.710
flat angles C4'-P-C4' energy: -67.246
flat angles P-C4'-P energy: -31.690
tors. eta vs tors. theta energy: -39.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -581.867625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.867625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.867625 (E_RNA)
where:
Base-Base interactions energy: -340.045
where: short stacking energy: -151.855
Base-Backbone interact. energy: -1.493
local terms energy: -240.329101
where:
bonds (distance) C4'-P energy: -49.020
bonds (distance) P-C4' energy: -70.086
flat angles C4'-P-C4' energy: -45.244
flat angles P-C4'-P energy: -50.153
tors. eta vs tors. theta energy: -25.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -398.336751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.336751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.336751 (E_RNA)
where:
Base-Base interactions energy: -171.199
where: short stacking energy: -110.231
Base-Backbone interact. energy: 0.123
local terms energy: -227.261191
where:
bonds (distance) C4'-P energy: -68.012
bonds (distance) P-C4' energy: -72.836
flat angles C4'-P-C4' energy: -49.326
flat angles P-C4'-P energy: -40.242
tors. eta vs tors. theta energy: 3.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -285.486887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.486887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.486887 (E_RNA)
where:
Base-Base interactions energy: -82.620
where: short stacking energy: -72.313
Base-Backbone interact. energy: 1.290
local terms energy: -204.156371
where:
bonds (distance) C4'-P energy: -58.247
bonds (distance) P-C4' energy: -69.893
flat angles C4'-P-C4' energy: -53.032
flat angles P-C4'-P energy: -38.069
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: 1, replica: 2
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1315.339885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.339885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.339885 (E_RNA)
where:
Base-Base interactions energy: -914.411
where: short stacking energy: -385.227
Base-Backbone interact. energy: -0.568
local terms energy: -400.361508
where:
bonds (distance) C4'-P energy: -60.268
bonds (distance) P-C4' energy: -78.591
flat angles C4'-P-C4' energy: -83.489
flat angles P-C4'-P energy: -60.679
tors. eta vs tors. theta energy: -117.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1251.507936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.507936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.507936 (E_RNA)
where:
Base-Base interactions energy: -855.593
where: short stacking energy: -366.522
Base-Backbone interact. energy: -3.048
local terms energy: -392.867288
where:
bonds (distance) C4'-P energy: -73.632
bonds (distance) P-C4' energy: -65.907
flat angles C4'-P-C4' energy: -91.264
flat angles P-C4'-P energy: -56.002
tors. eta vs tors. theta energy: -106.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -1207.505588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.505588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.505588 (E_RNA)
where:
Base-Base interactions energy: -819.678
where: short stacking energy: -360.469
Base-Backbone interact. energy: 0.121
local terms energy: -387.947942
where:
bonds (distance) C4'-P energy: -77.948
bonds (distance) P-C4' energy: -65.400
flat angles C4'-P-C4' energy: -75.977
flat angles P-C4'-P energy: -57.857
tors. eta vs tors. theta energy: -110.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1114.581816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.581816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.581816 (E_RNA)
where:
Base-Base interactions energy: -750.702
where: short stacking energy: -291.493
Base-Backbone interact. energy: -3.364
local terms energy: -360.515971
where:
bonds (distance) C4'-P energy: -75.150
bonds (distance) P-C4' energy: -59.973
flat angles C4'-P-C4' energy: -82.236
flat angles P-C4'-P energy: -57.318
tors. eta vs tors. theta energy: -85.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1077.999547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.999547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.999547 (E_RNA)
where:
Base-Base interactions energy: -740.495
where: short stacking energy: -307.805
Base-Backbone interact. energy: -0.647
local terms energy: -336.857712
where:
bonds (distance) C4'-P energy: -60.906
bonds (distance) P-C4' energy: -65.371
flat angles C4'-P-C4' energy: -72.411
flat angles P-C4'-P energy: -46.362
tors. eta vs tors. theta energy: -91.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -863.135258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.135258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.135258 (E_RNA)
where:
Base-Base interactions energy: -538.139
where: short stacking energy: -263.019
Base-Backbone interact. energy: -2.192
local terms energy: -322.805157
where:
bonds (distance) C4'-P energy: -65.084
bonds (distance) P-C4' energy: -69.781
flat angles C4'-P-C4' energy: -66.923
flat angles P-C4'-P energy: -48.691
tors. eta vs tors. theta energy: -72.326
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: 7, replica: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -739.817099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.817099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.817099 (E_RNA)
where:
Base-Base interactions energy: -473.091
where: short stacking energy: -202.233
Base-Backbone interact. energy: -2.955
local terms energy: -263.771119
where:
bonds (distance) C4'-P energy: -61.008
bonds (distance) P-C4' energy: -70.715
flat angles C4'-P-C4' energy: -66.066
flat angles P-C4'-P energy: -33.658
tors. eta vs tors. theta energy: -32.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -546.978500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.978500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.978500 (E_RNA)
where:
Base-Base interactions energy: -311.474
where: short stacking energy: -161.252
Base-Backbone interact. energy: -0.997
local terms energy: -234.508449
where:
bonds (distance) C4'-P energy: -61.361
bonds (distance) P-C4' energy: -73.671
flat angles C4'-P-C4' energy: -58.590
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -29.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -392.104249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.104249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.104249 (E_RNA)
where:
Base-Base interactions energy: -159.045
where: short stacking energy: -108.669
Base-Backbone interact. energy: -2.111
local terms energy: -230.948220
where:
bonds (distance) C4'-P energy: -67.981
bonds (distance) P-C4' energy: -72.044
flat angles C4'-P-C4' energy: -58.789
flat angles P-C4'-P energy: -34.928
tors. eta vs tors. theta energy: 2.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -290.108282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.108282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.108282 (E_RNA)
where:
Base-Base interactions energy: -117.447
where: short stacking energy: -96.872
Base-Backbone interact. energy: 1.334
local terms energy: -173.994919
where:
bonds (distance) C4'-P energy: -59.097
bonds (distance) P-C4' energy: -53.064
flat angles C4'-P-C4' energy: -58.290
flat angles P-C4'-P energy: -15.551
tors. eta vs tors. theta energy: 12.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1331.076928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.076928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.076928 (E_RNA)
where:
Base-Base interactions energy: -945.218
where: short stacking energy: -388.663
Base-Backbone interact. energy: -2.072
local terms energy: -383.787030
where:
bonds (distance) C4'-P energy: -69.985
bonds (distance) P-C4' energy: -75.518
flat angles C4'-P-C4' energy: -73.552
flat angles P-C4'-P energy: -57.008
tors. eta vs tors. theta energy: -107.724
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: 1
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1240.335825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.335825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.335825 (E_RNA)
where:
Base-Base interactions energy: -858.804
where: short stacking energy: -350.389
Base-Backbone interact. energy: -3.028
local terms energy: -378.503905
where:
bonds (distance) C4'-P energy: -73.226
bonds (distance) P-C4' energy: -68.391
flat angles C4'-P-C4' energy: -77.669
flat angles P-C4'-P energy: -54.143
tors. eta vs tors. theta energy: -105.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1211.192589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.192589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.192589 (E_RNA)
where:
Base-Base interactions energy: -833.580
where: short stacking energy: -370.753
Base-Backbone interact. energy: -0.401
local terms energy: -377.211582
where:
bonds (distance) C4'-P energy: -63.800
bonds (distance) P-C4' energy: -72.098
flat angles C4'-P-C4' energy: -72.263
flat angles P-C4'-P energy: -56.712
tors. eta vs tors. theta energy: -112.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -1139.281279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.281279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.281279 (E_RNA)
where:
Base-Base interactions energy: -789.498
where: short stacking energy: -311.312
Base-Backbone interact. energy: -2.057
local terms energy: -347.726032
where:
bonds (distance) C4'-P energy: -76.771
bonds (distance) P-C4' energy: -61.311
flat angles C4'-P-C4' energy: -74.298
flat angles P-C4'-P energy: -44.961
tors. eta vs tors. theta energy: -90.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1050.049649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.049649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.049649 (E_RNA)
where:
Base-Base interactions energy: -709.103
where: short stacking energy: -281.470
Base-Backbone interact. energy: -2.552
local terms energy: -338.394198
where:
bonds (distance) C4'-P energy: -58.718
bonds (distance) P-C4' energy: -74.486
flat angles C4'-P-C4' energy: -75.066
flat angles P-C4'-P energy: -47.045
tors. eta vs tors. theta energy: -83.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -864.921159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.921159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.921159 (E_RNA)
where:
Base-Base interactions energy: -550.767
where: short stacking energy: -258.886
Base-Backbone interact. energy: -0.019
local terms energy: -314.135393
where:
bonds (distance) C4'-P energy: -64.195
bonds (distance) P-C4' energy: -69.067
flat angles C4'-P-C4' energy: -71.774
flat angles P-C4'-P energy: -41.161
tors. eta vs tors. theta energy: -67.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -758.880436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.880436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.880436 (E_RNA)
where:
Base-Base interactions energy: -461.499
where: short stacking energy: -213.020
Base-Backbone interact. energy: -1.296
local terms energy: -296.085823
where:
bonds (distance) C4'-P energy: -71.892
bonds (distance) P-C4' energy: -70.655
flat angles C4'-P-C4' energy: -60.750
flat angles P-C4'-P energy: -39.724
tors. eta vs tors. theta energy: -53.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -566.271699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.271699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.271699 (E_RNA)
where:
Base-Base interactions energy: -308.055
where: short stacking energy: -148.125
Base-Backbone interact. energy: 0.362
local terms energy: -258.578323
where:
bonds (distance) C4'-P energy: -63.068
bonds (distance) P-C4' energy: -72.813
flat angles C4'-P-C4' energy: -65.134
flat angles P-C4'-P energy: -34.452
tors. eta vs tors. theta energy: -23.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -307.586733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.586733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.586733 (E_RNA)
where:
Base-Base interactions energy: -117.913
where: short stacking energy: -87.268
Base-Backbone interact. energy: -0.064
local terms energy: -189.610321
where:
bonds (distance) C4'-P energy: -56.490
bonds (distance) P-C4' energy: -56.108
flat angles C4'-P-C4' energy: -58.734
flat angles P-C4'-P energy: -34.373
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: 10, replica: 4
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -379.390414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.390414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.390414 (E_RNA)
where:
Base-Base interactions energy: -170.328
where: short stacking energy: -98.065
Base-Backbone interact. energy: 3.185
local terms energy: -212.247132
where:
bonds (distance) C4'-P energy: -65.151
bonds (distance) P-C4' energy: -66.227
flat angles C4'-P-C4' energy: -63.571
flat angles P-C4'-P energy: -20.314
tors. eta vs tors. theta energy: 3.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1310.022931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.022931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.022931 (E_RNA)
where:
Base-Base interactions energy: -925.723
where: short stacking energy: -390.369
Base-Backbone interact. energy: -1.336
local terms energy: -382.963791
where:
bonds (distance) C4'-P energy: -72.494
bonds (distance) P-C4' energy: -63.545
flat angles C4'-P-C4' energy: -78.160
flat angles P-C4'-P energy: -48.762
tors. eta vs tors. theta energy: -120.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1270.302071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.302071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.302071 (E_RNA)
where:
Base-Base interactions energy: -868.083
where: short stacking energy: -359.508
Base-Backbone interact. energy: -4.061
local terms energy: -398.158218
where:
bonds (distance) C4'-P energy: -74.644
bonds (distance) P-C4' energy: -72.007
flat angles C4'-P-C4' energy: -76.845
flat angles P-C4'-P energy: -61.338
tors. eta vs tors. theta energy: -113.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1229.487615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.487615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.487615 (E_RNA)
where:
Base-Base interactions energy: -841.661
where: short stacking energy: -368.424
Base-Backbone interact. energy: -0.578
local terms energy: -387.248472
where:
bonds (distance) C4'-P energy: -78.569
bonds (distance) P-C4' energy: -70.405
flat angles C4'-P-C4' energy: -77.435
flat angles P-C4'-P energy: -41.949
tors. eta vs tors. theta energy: -118.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1116.552582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.552582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.552582 (E_RNA)
where:
Base-Base interactions energy: -756.427
where: short stacking energy: -300.809
Base-Backbone interact. energy: -2.569
local terms energy: -357.557063
where:
bonds (distance) C4'-P energy: -71.850
bonds (distance) P-C4' energy: -74.542
flat angles C4'-P-C4' energy: -70.617
flat angles P-C4'-P energy: -56.673
tors. eta vs tors. theta energy: -83.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -942.260008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.260008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.260008 (E_RNA)
where:
Base-Base interactions energy: -606.152
where: short stacking energy: -265.350
Base-Backbone interact. energy: -0.810
local terms energy: -335.298908
where:
bonds (distance) C4'-P energy: -69.477
bonds (distance) P-C4' energy: -75.304
flat angles C4'-P-C4' energy: -79.525
flat angles P-C4'-P energy: -38.480
tors. eta vs tors. theta energy: -72.513
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: 6, replica: 10
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -883.916129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.916129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.916129 (E_RNA)
where:
Base-Base interactions energy: -556.908
where: short stacking energy: -244.889
Base-Backbone interact. energy: 2.712
local terms energy: -329.720486
where:
bonds (distance) C4'-P energy: -71.541
bonds (distance) P-C4' energy: -66.016
flat angles C4'-P-C4' energy: -68.677
flat angles P-C4'-P energy: -49.205
tors. eta vs tors. theta energy: -74.281
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: 5
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -741.103013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.103013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.103013 (E_RNA)
where:
Base-Base interactions energy: -470.254
where: short stacking energy: -200.428
Base-Backbone interact. energy: -1.000
local terms energy: -269.848476
where:
bonds (distance) C4'-P energy: -63.242
bonds (distance) P-C4' energy: -60.700
flat angles C4'-P-C4' energy: -65.159
flat angles P-C4'-P energy: -40.113
tors. eta vs tors. theta energy: -40.634
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: 8
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -562.132129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.132129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.132129 (E_RNA)
where:
Base-Base interactions energy: -314.291
where: short stacking energy: -168.892
Base-Backbone interact. energy: -0.581
local terms energy: -247.259748
where:
bonds (distance) C4'-P energy: -52.857
bonds (distance) P-C4' energy: -66.457
flat angles C4'-P-C4' energy: -59.143
flat angles P-C4'-P energy: -43.392
tors. eta vs tors. theta energy: -25.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -342.396320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.396320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.396320 (E_RNA)
where:
Base-Base interactions energy: -136.501
where: short stacking energy: -110.428
Base-Backbone interact. energy: 0.512
local terms energy: -206.407585
where:
bonds (distance) C4'-P energy: -55.422
bonds (distance) P-C4' energy: -51.328
flat angles C4'-P-C4' energy: -71.105
flat angles P-C4'-P energy: -40.926
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: 10, replica: 4
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -356.434281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.434281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.434281 (E_RNA)
where:
Base-Base interactions energy: -157.689
where: short stacking energy: -105.881
Base-Backbone interact. energy: -0.749
local terms energy: -197.996406
where:
bonds (distance) C4'-P energy: -45.722
bonds (distance) P-C4' energy: -65.430
flat angles C4'-P-C4' energy: -60.233
flat angles P-C4'-P energy: -33.516
tors. eta vs tors. theta energy: 6.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1315.928266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.928266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.928266 (E_RNA)
where:
Base-Base interactions energy: -902.924
where: short stacking energy: -369.796
Base-Backbone interact. energy: -0.305
local terms energy: -412.698661
where:
bonds (distance) C4'-P energy: -83.138
bonds (distance) P-C4' energy: -72.943
flat angles C4'-P-C4' energy: -81.391
flat angles P-C4'-P energy: -63.591
tors. eta vs tors. theta energy: -111.637
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: 1
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1230.172988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.172988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.172988 (E_RNA)
where:
Base-Base interactions energy: -855.099
where: short stacking energy: -364.270
Base-Backbone interact. energy: -4.272
local terms energy: -370.802488
where:
bonds (distance) C4'-P energy: -68.411
bonds (distance) P-C4' energy: -73.208
flat angles C4'-P-C4' energy: -69.627
flat angles P-C4'-P energy: -46.956
tors. eta vs tors. theta energy: -112.601
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: 256
Temperature: 1.000000
Total energy: -1215.003300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.003300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.003300 (E_RNA)
where:
Base-Base interactions energy: -828.012
where: short stacking energy: -369.767
Base-Backbone interact. energy: 2.868
local terms energy: -389.859212
where:
bonds (distance) C4'-P energy: -70.453
bonds (distance) P-C4' energy: -64.783
flat angles C4'-P-C4' energy: -80.701
flat angles P-C4'-P energy: -58.100
tors. eta vs tors. theta energy: -115.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1110.543874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.543874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.543874 (E_RNA)
where:
Base-Base interactions energy: -755.444
where: short stacking energy: -320.518
Base-Backbone interact. energy: -0.685
local terms energy: -354.414715
where:
bonds (distance) C4'-P energy: -60.698
bonds (distance) P-C4' energy: -69.442
flat angles C4'-P-C4' energy: -80.566
flat angles P-C4'-P energy: -51.077
tors. eta vs tors. theta energy: -92.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1005.911881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.911881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.911881 (E_RNA)
where:
Base-Base interactions energy: -687.324
where: short stacking energy: -315.170
Base-Backbone interact. energy: -0.743
local terms energy: -317.845543
where:
bonds (distance) C4'-P energy: -55.617
bonds (distance) P-C4' energy: -59.895
flat angles C4'-P-C4' energy: -71.067
flat angles P-C4'-P energy: -40.253
tors. eta vs tors. theta energy: -91.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -835.872983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.872983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.872983 (E_RNA)
where:
Base-Base interactions energy: -534.029
where: short stacking energy: -231.655
Base-Backbone interact. energy: -0.138
local terms energy: -301.705984
where:
bonds (distance) C4'-P energy: -58.307
bonds (distance) P-C4' energy: -73.740
flat angles C4'-P-C4' energy: -67.691
flat angles P-C4'-P energy: -46.131
tors. eta vs tors. theta energy: -55.838
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: 5
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -809.024659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.024659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.024659 (E_RNA)
where:
Base-Base interactions energy: -522.530
where: short stacking energy: -210.617
Base-Backbone interact. energy: 2.330
local terms energy: -288.825009
where:
bonds (distance) C4'-P energy: -59.189
bonds (distance) P-C4' energy: -58.784
flat angles C4'-P-C4' energy: -64.010
flat angles P-C4'-P energy: -50.060
tors. eta vs tors. theta energy: -56.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -515.129459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.129459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.129459 (E_RNA)
where:
Base-Base interactions energy: -274.414
where: short stacking energy: -147.712
Base-Backbone interact. energy: 1.433
local terms energy: -242.149071
where:
bonds (distance) C4'-P energy: -58.126
bonds (distance) P-C4' energy: -65.114
flat angles C4'-P-C4' energy: -72.637
flat angles P-C4'-P energy: -28.896
tors. eta vs tors. theta energy: -17.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -427.779801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.779801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.779801 (E_RNA)
where:
Base-Base interactions energy: -195.416
where: short stacking energy: -107.074
Base-Backbone interact. energy: -2.100
local terms energy: -230.263966
where:
bonds (distance) C4'-P energy: -72.650
bonds (distance) P-C4' energy: -58.120
flat angles C4'-P-C4' energy: -54.751
flat angles P-C4'-P energy: -36.755
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: 6
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -291.986123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.986123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.986123 (E_RNA)
where:
Base-Base interactions energy: -126.905
where: short stacking energy: -92.795
Base-Backbone interact. energy: 4.123
local terms energy: -169.203702
where:
bonds (distance) C4'-P energy: -57.901
bonds (distance) P-C4' energy: -52.675
flat angles C4'-P-C4' energy: -45.433
flat angles P-C4'-P energy: -23.873
tors. eta vs tors. theta energy: 10.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1320.102677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.102677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.102677 (E_RNA)
where:
Base-Base interactions energy: -910.724
where: short stacking energy: -375.720
Base-Backbone interact. energy: 4.265
local terms energy: -413.644295
where:
bonds (distance) C4'-P energy: -75.754
bonds (distance) P-C4' energy: -74.225
flat angles C4'-P-C4' energy: -89.479
flat angles P-C4'-P energy: -54.574
tors. eta vs tors. theta energy: -119.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1234.499728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.499728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.499728 (E_RNA)
where:
Base-Base interactions energy: -837.342
where: short stacking energy: -345.146
Base-Backbone interact. energy: -2.152
local terms energy: -395.005273
where:
bonds (distance) C4'-P energy: -73.490
bonds (distance) P-C4' energy: -70.517
flat angles C4'-P-C4' energy: -78.644
flat angles P-C4'-P energy: -56.075
tors. eta vs tors. theta energy: -116.279
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: 257
Temperature: 1.000000
Total energy: -1224.954441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.954441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.954441 (E_RNA)
where:
Base-Base interactions energy: -840.830
where: short stacking energy: -359.395
Base-Backbone interact. energy: -1.521
local terms energy: -382.603510
where:
bonds (distance) C4'-P energy: -70.236
bonds (distance) P-C4' energy: -61.347
flat angles C4'-P-C4' energy: -79.672
flat angles P-C4'-P energy: -55.003
tors. eta vs tors. theta energy: -116.345
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: 7
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1088.290521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.290521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.290521 (E_RNA)
where:
Base-Base interactions energy: -758.504
where: short stacking energy: -297.172
Base-Backbone interact. energy: 0.114
local terms energy: -329.900111
where:
bonds (distance) C4'-P energy: -61.337
bonds (distance) P-C4' energy: -64.585
flat angles C4'-P-C4' energy: -72.933
flat angles P-C4'-P energy: -48.086
tors. eta vs tors. theta energy: -82.960
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: 3
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -984.225289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.225289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.225289 (E_RNA)
where:
Base-Base interactions energy: -644.152
where: short stacking energy: -283.615
Base-Backbone interact. energy: -1.131
local terms energy: -338.942945
where:
bonds (distance) C4'-P energy: -63.748
bonds (distance) P-C4' energy: -69.913
flat angles C4'-P-C4' energy: -76.693
flat angles P-C4'-P energy: -45.637
tors. eta vs tors. theta energy: -82.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -834.653245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.653245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.653245 (E_RNA)
where:
Base-Base interactions energy: -533.212
where: short stacking energy: -242.269
Base-Backbone interact. energy: -1.250
local terms energy: -300.191300
where:
bonds (distance) C4'-P energy: -62.317
bonds (distance) P-C4' energy: -50.591
flat angles C4'-P-C4' energy: -77.988
flat angles P-C4'-P energy: -39.098
tors. eta vs tors. theta energy: -70.197
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: 10
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -807.571484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.571484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.571484 (E_RNA)
where:
Base-Base interactions energy: -520.956
where: short stacking energy: -244.765
Base-Backbone interact. energy: -0.807
local terms energy: -285.808532
where:
bonds (distance) C4'-P energy: -63.974
bonds (distance) P-C4' energy: -53.985
flat angles C4'-P-C4' energy: -61.548
flat angles P-C4'-P energy: -47.122
tors. eta vs tors. theta energy: -59.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -537.972282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.972282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.972282 (E_RNA)
where:
Base-Base interactions energy: -297.937
where: short stacking energy: -158.599
Base-Backbone interact. energy: -1.275
local terms energy: -238.760183
where:
bonds (distance) C4'-P energy: -55.823
bonds (distance) P-C4' energy: -73.669
flat angles C4'-P-C4' energy: -64.529
flat angles P-C4'-P energy: -26.239
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: 9, replica: 4
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -414.942341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.942341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.942341 (E_RNA)
where:
Base-Base interactions energy: -206.709
where: short stacking energy: -102.639
Base-Backbone interact. energy: -2.979
local terms energy: -205.254583
where:
bonds (distance) C4'-P energy: -60.647
bonds (distance) P-C4' energy: -68.064
flat angles C4'-P-C4' energy: -50.135
flat angles P-C4'-P energy: -25.229
tors. eta vs tors. theta energy: -1.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -293.501235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.501235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.501235 (E_RNA)
where:
Base-Base interactions energy: -92.545
where: short stacking energy: -85.772
Base-Backbone interact. energy: -0.637
local terms energy: -200.318683
where:
bonds (distance) C4'-P energy: -58.260
bonds (distance) P-C4' energy: -60.872
flat angles C4'-P-C4' energy: -58.545
flat angles P-C4'-P energy: -33.251
tors. eta vs tors. theta energy: 10.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1320.154838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.154838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.154838 (E_RNA)
where:
Base-Base interactions energy: -914.346
where: short stacking energy: -374.993
Base-Backbone interact. energy: -0.661
local terms energy: -405.148428
where:
bonds (distance) C4'-P energy: -75.376
bonds (distance) P-C4' energy: -78.633
flat angles C4'-P-C4' energy: -81.435
flat angles P-C4'-P energy: -57.344
tors. eta vs tors. theta energy: -112.361
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: 1
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1211.889221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.889221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.889221 (E_RNA)
where:
Base-Base interactions energy: -827.976
where: short stacking energy: -348.210
Base-Backbone interact. energy: 1.547
local terms energy: -385.459906
where:
bonds (distance) C4'-P energy: -73.410
bonds (distance) P-C4' energy: -81.855
flat angles C4'-P-C4' energy: -82.342
flat angles P-C4'-P energy: -50.364
tors. eta vs tors. theta energy: -97.488
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: 9
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1227.032035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.032035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.032035 (E_RNA)
where:
Base-Base interactions energy: -846.029
where: short stacking energy: -366.671
Base-Backbone interact. energy: -0.323
local terms energy: -380.680540
where:
bonds (distance) C4'-P energy: -59.171
bonds (distance) P-C4' energy: -69.051
flat angles C4'-P-C4' energy: -78.667
flat angles P-C4'-P energy: -62.465
tors. eta vs tors. theta energy: -111.326
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: 4, replica: 7
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1115.276996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.276996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.276996 (E_RNA)
where:
Base-Base interactions energy: -765.244
where: short stacking energy: -311.419
Base-Backbone interact. energy: -2.462
local terms energy: -347.571046
where:
bonds (distance) C4'-P energy: -67.463
bonds (distance) P-C4' energy: -82.308
flat angles C4'-P-C4' energy: -75.106
flat angles P-C4'-P energy: -36.352
tors. eta vs tors. theta energy: -86.343
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: 3
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -972.541569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.541569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.541569 (E_RNA)
where:
Base-Base interactions energy: -632.583
where: short stacking energy: -293.214
Base-Backbone interact. energy: 1.540
local terms energy: -341.498524
where:
bonds (distance) C4'-P energy: -72.514
bonds (distance) P-C4' energy: -71.779
flat angles C4'-P-C4' energy: -74.377
flat angles P-C4'-P energy: -44.240
tors. eta vs tors. theta energy: -78.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -853.518502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.518502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.518502 (E_RNA)
where:
Base-Base interactions energy: -535.284
where: short stacking energy: -248.167
Base-Backbone interact. energy: -0.442
local terms energy: -317.791861
where:
bonds (distance) C4'-P energy: -68.075
bonds (distance) P-C4' energy: -69.613
flat angles C4'-P-C4' energy: -69.544
flat angles P-C4'-P energy: -44.772
tors. eta vs tors. theta energy: -65.788
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: 10
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -831.309855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.309855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.309855 (E_RNA)
where:
Base-Base interactions energy: -521.438
where: short stacking energy: -238.065
Base-Backbone interact. energy: 1.351
local terms energy: -311.222757
where:
bonds (distance) C4'-P energy: -63.910
bonds (distance) P-C4' energy: -58.409
flat angles C4'-P-C4' energy: -72.890
flat angles P-C4'-P energy: -48.210
tors. eta vs tors. theta energy: -67.804
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: 8
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -511.666127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.666127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.666127 (E_RNA)
where:
Base-Base interactions energy: -248.097
where: short stacking energy: -141.473
Base-Backbone interact. energy: -0.966
local terms energy: -262.603826
where:
bonds (distance) C4'-P energy: -74.492
bonds (distance) P-C4' energy: -67.632
flat angles C4'-P-C4' energy: -60.818
flat angles P-C4'-P energy: -39.703
tors. eta vs tors. theta energy: -19.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -324.253661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.253661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.253661 (E_RNA)
where:
Base-Base interactions energy: -106.688
where: short stacking energy: -89.381
Base-Backbone interact. energy: -0.446
local terms energy: -217.119822
where:
bonds (distance) C4'-P energy: -67.160
bonds (distance) P-C4' energy: -60.772
flat angles C4'-P-C4' energy: -51.065
flat angles P-C4'-P energy: -35.590
tors. eta vs tors. theta energy: -2.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -370.483807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.483807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.483807 (E_RNA)
where:
Base-Base interactions energy: -161.205
where: short stacking energy: -100.945
Base-Backbone interact. energy: 0.202
local terms energy: -209.480649
where:
bonds (distance) C4'-P energy: -50.531
bonds (distance) P-C4' energy: -54.338
flat angles C4'-P-C4' energy: -52.316
flat angles P-C4'-P energy: -45.114
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: 1, replica: 2
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1312.145047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.145047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.145047 (E_RNA)
where:
Base-Base interactions energy: -905.363
where: short stacking energy: -388.527
Base-Backbone interact. energy: -0.989
local terms energy: -405.793301
where:
bonds (distance) C4'-P energy: -71.643
bonds (distance) P-C4' energy: -77.984
flat angles C4'-P-C4' energy: -84.979
flat angles P-C4'-P energy: -56.183
tors. eta vs tors. theta energy: -115.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1261.009302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.009302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.009302 (E_RNA)
where:
Base-Base interactions energy: -859.226
where: short stacking energy: -372.335
Base-Backbone interact. energy: 2.023
local terms energy: -403.806942
where:
bonds (distance) C4'-P energy: -77.784
bonds (distance) P-C4' energy: -76.483
flat angles C4'-P-C4' energy: -78.189
flat angles P-C4'-P energy: -52.523
tors. eta vs tors. theta energy: -118.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1211.247456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.247456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.247456 (E_RNA)
where:
Base-Base interactions energy: -837.351
where: short stacking energy: -356.203
Base-Backbone interact. energy: -0.443
local terms energy: -373.453653
where:
bonds (distance) C4'-P energy: -64.705
bonds (distance) P-C4' energy: -73.622
flat angles C4'-P-C4' energy: -78.716
flat angles P-C4'-P energy: -52.866
tors. eta vs tors. theta energy: -103.545
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: 7
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1081.180675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.180675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.180675 (E_RNA)
where:
Base-Base interactions energy: -715.424
where: short stacking energy: -302.448
Base-Backbone interact. energy: -2.420
local terms energy: -363.336218
where:
bonds (distance) C4'-P energy: -74.446
bonds (distance) P-C4' energy: -70.178
flat angles C4'-P-C4' energy: -78.629
flat angles P-C4'-P energy: -46.238
tors. eta vs tors. theta energy: -93.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -979.894835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.894835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.894835 (E_RNA)
where:
Base-Base interactions energy: -647.166
where: short stacking energy: -280.377
Base-Backbone interact. energy: -1.187
local terms energy: -331.542023
where:
bonds (distance) C4'-P energy: -55.503
bonds (distance) P-C4' energy: -74.329
flat angles C4'-P-C4' energy: -71.258
flat angles P-C4'-P energy: -59.111
tors. eta vs tors. theta energy: -71.340
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: 5
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -811.490969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.490969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.490969 (E_RNA)
where:
Base-Base interactions energy: -508.536
where: short stacking energy: -250.617
Base-Backbone interact. energy: 1.558
local terms energy: -304.513185
where:
bonds (distance) C4'-P energy: -54.253
bonds (distance) P-C4' energy: -68.370
flat angles C4'-P-C4' energy: -78.256
flat angles P-C4'-P energy: -51.668
tors. eta vs tors. theta energy: -51.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -746.320076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.320076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.320076 (E_RNA)
where:
Base-Base interactions energy: -467.878
where: short stacking energy: -209.434
Base-Backbone interact. energy: -0.492
local terms energy: -277.949587
where:
bonds (distance) C4'-P energy: -61.033
bonds (distance) P-C4' energy: -63.519
flat angles C4'-P-C4' energy: -61.359
flat angles P-C4'-P energy: -40.714
tors. eta vs tors. theta energy: -51.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -526.590668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.590668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.590668 (E_RNA)
where:
Base-Base interactions energy: -303.797
where: short stacking energy: -168.316
Base-Backbone interact. energy: 4.859
local terms energy: -227.653165
where:
bonds (distance) C4'-P energy: -59.909
bonds (distance) P-C4' energy: -63.712
flat angles C4'-P-C4' energy: -51.797
flat angles P-C4'-P energy: -23.344
tors. eta vs tors. theta energy: -28.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -322.470440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.470440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.470440 (E_RNA)
where:
Base-Base interactions energy: -129.898
where: short stacking energy: -100.628
Base-Backbone interact. energy: -0.590
local terms energy: -191.982306
where:
bonds (distance) C4'-P energy: -55.742
bonds (distance) P-C4' energy: -63.079
flat angles C4'-P-C4' energy: -57.308
flat angles P-C4'-P energy: -28.522
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: 10, replica: 4
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -414.395019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.395019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.395019 (E_RNA)
where:
Base-Base interactions energy: -197.368
where: short stacking energy: -110.082
Base-Backbone interact. energy: -1.380
local terms energy: -215.647023
where:
bonds (distance) C4'-P energy: -65.023
bonds (distance) P-C4' energy: -60.205
flat angles C4'-P-C4' energy: -61.522
flat angles P-C4'-P energy: -22.053
tors. eta vs tors. theta energy: -6.845
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: 1, replica: 2
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1331.121187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.121187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.121187 (E_RNA)
where:
Base-Base interactions energy: -909.138
where: short stacking energy: -397.224
Base-Backbone interact. energy: -0.822
local terms energy: -421.161037
where:
bonds (distance) C4'-P energy: -84.959
bonds (distance) P-C4' energy: -75.400
flat angles C4'-P-C4' energy: -91.824
flat angles P-C4'-P energy: -51.643
tors. eta vs tors. theta energy: -117.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1258.984866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.984866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.984866 (E_RNA)
where:
Base-Base interactions energy: -877.302
where: short stacking energy: -382.364
Base-Backbone interact. energy: -0.388
local terms energy: -381.295111
where:
bonds (distance) C4'-P energy: -67.836
bonds (distance) P-C4' energy: -65.688
flat angles C4'-P-C4' energy: -78.476
flat angles P-C4'-P energy: -52.326
tors. eta vs tors. theta energy: -116.968
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: 1
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1216.381931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.381931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.381931 (E_RNA)
where:
Base-Base interactions energy: -828.482
where: short stacking energy: -341.433
Base-Backbone interact. energy: -4.744
local terms energy: -383.156049
where:
bonds (distance) C4'-P energy: -77.788
bonds (distance) P-C4' energy: -68.989
flat angles C4'-P-C4' energy: -73.498
flat angles P-C4'-P energy: -57.795
tors. eta vs tors. theta energy: -105.087
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: 7
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1106.038712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.038712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.038712 (E_RNA)
where:
Base-Base interactions energy: -753.694
where: short stacking energy: -318.184
Base-Backbone interact. energy: -2.551
local terms energy: -349.793756
where:
bonds (distance) C4'-P energy: -68.534
bonds (distance) P-C4' energy: -68.599
flat angles C4'-P-C4' energy: -73.053
flat angles P-C4'-P energy: -51.466
tors. eta vs tors. theta energy: -88.141
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: 3
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -985.598684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.598684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.598684 (E_RNA)
where:
Base-Base interactions energy: -643.068
where: short stacking energy: -299.047
Base-Backbone interact. energy: -1.274
local terms energy: -341.256144
where:
bonds (distance) C4'-P energy: -64.356
bonds (distance) P-C4' energy: -65.648
flat angles C4'-P-C4' energy: -78.147
flat angles P-C4'-P energy: -51.123
tors. eta vs tors. theta energy: -81.982
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: 5
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -844.473029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.473029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.473029 (E_RNA)
where:
Base-Base interactions energy: -557.949
where: short stacking energy: -256.352
Base-Backbone interact. energy: 0.610
local terms energy: -287.134084
where:
bonds (distance) C4'-P energy: -56.352
bonds (distance) P-C4' energy: -64.469
flat angles C4'-P-C4' energy: -70.210
flat angles P-C4'-P energy: -35.192
tors. eta vs tors. theta energy: -60.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -806.596902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.596902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.596902 (E_RNA)
where:
Base-Base interactions energy: -519.183
where: short stacking energy: -215.944
Base-Backbone interact. energy: 0.169
local terms energy: -287.582920
where:
bonds (distance) C4'-P energy: -52.612
bonds (distance) P-C4' energy: -67.396
flat angles C4'-P-C4' energy: -74.591
flat angles P-C4'-P energy: -49.137
tors. eta vs tors. theta energy: -43.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -495.269805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.269805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.269805 (E_RNA)
where:
Base-Base interactions energy: -254.901
where: short stacking energy: -148.540
Base-Backbone interact. energy: -1.746
local terms energy: -238.622719
where:
bonds (distance) C4'-P energy: -62.253
bonds (distance) P-C4' energy: -58.871
flat angles C4'-P-C4' energy: -55.446
flat angles P-C4'-P energy: -32.276
tors. eta vs tors. theta energy: -29.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -367.525740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.525740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.525740 (E_RNA)
where:
Base-Base interactions energy: -143.149
where: short stacking energy: -90.849
Base-Backbone interact. energy: -2.390
local terms energy: -221.986038
where:
bonds (distance) C4'-P energy: -68.846
bonds (distance) P-C4' energy: -61.664
flat angles C4'-P-C4' energy: -48.772
flat angles P-C4'-P energy: -38.571
tors. eta vs tors. theta energy: -4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -295.169170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.169170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.169170 (E_RNA)
where:
Base-Base interactions energy: -101.727
where: short stacking energy: -70.177
Base-Backbone interact. energy: -0.958
local terms energy: -192.484239
where:
bonds (distance) C4'-P energy: -58.490
bonds (distance) P-C4' energy: -72.246
flat angles C4'-P-C4' energy: -45.350
flat angles P-C4'-P energy: -32.305
tors. eta vs tors. theta energy: 15.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1297.429898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.429898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.429898 (E_RNA)
where:
Base-Base interactions energy: -906.109
where: short stacking energy: -380.150
Base-Backbone interact. energy: 0.547
local terms energy: -391.867085
where:
bonds (distance) C4'-P energy: -78.174
bonds (distance) P-C4' energy: -74.514
flat angles C4'-P-C4' energy: -74.414
flat angles P-C4'-P energy: -51.800
tors. eta vs tors. theta energy: -112.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1248.432779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.432779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.432779 (E_RNA)
where:
Base-Base interactions energy: -849.880
where: short stacking energy: -373.777
Base-Backbone interact. energy: -0.237
local terms energy: -398.315882
where:
bonds (distance) C4'-P energy: -77.935
bonds (distance) P-C4' energy: -83.707
flat angles C4'-P-C4' energy: -74.928
flat angles P-C4'-P energy: -53.106
tors. eta vs tors. theta energy: -108.640
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: 1
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1234.770347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.770347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.770347 (E_RNA)
where:
Base-Base interactions energy: -845.995
where: short stacking energy: -355.806
Base-Backbone interact. energy: 5.138
local terms energy: -393.913638
where:
bonds (distance) C4'-P energy: -70.376
bonds (distance) P-C4' energy: -67.893
flat angles C4'-P-C4' energy: -89.096
flat angles P-C4'-P energy: -50.249
tors. eta vs tors. theta energy: -116.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1098.613266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.613266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.613266 (E_RNA)
where:
Base-Base interactions energy: -746.024
where: short stacking energy: -309.845
Base-Backbone interact. energy: -1.550
local terms energy: -351.038922
where:
bonds (distance) C4'-P energy: -66.889
bonds (distance) P-C4' energy: -75.270
flat angles C4'-P-C4' energy: -78.424
flat angles P-C4'-P energy: -43.219
tors. eta vs tors. theta energy: -87.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -925.625247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.625247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.625247 (E_RNA)
where:
Base-Base interactions energy: -612.386
where: short stacking energy: -259.741
Base-Backbone interact. energy: -2.210
local terms energy: -311.029178
where:
bonds (distance) C4'-P energy: -63.055
bonds (distance) P-C4' energy: -56.027
flat angles C4'-P-C4' energy: -76.177
flat angles P-C4'-P energy: -48.282
tors. eta vs tors. theta energy: -67.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -878.972940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.972940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.972940 (E_RNA)
where:
Base-Base interactions energy: -580.968
where: short stacking energy: -252.847
Base-Backbone interact. energy: 1.070
local terms energy: -299.075009
where:
bonds (distance) C4'-P energy: -69.642
bonds (distance) P-C4' energy: -62.285
flat angles C4'-P-C4' energy: -65.351
flat angles P-C4'-P energy: -36.873
tors. eta vs tors. theta energy: -64.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -788.515213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.515213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.515213 (E_RNA)
where:
Base-Base interactions energy: -500.711
where: short stacking energy: -217.535
Base-Backbone interact. energy: 3.533
local terms energy: -291.337475
where:
bonds (distance) C4'-P energy: -69.839
bonds (distance) P-C4' energy: -61.776
flat angles C4'-P-C4' energy: -59.940
flat angles P-C4'-P energy: -50.441
tors. eta vs tors. theta energy: -49.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -538.707250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.707250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.707250 (E_RNA)
where:
Base-Base interactions energy: -312.379
where: short stacking energy: -149.122
Base-Backbone interact. energy: 3.925
local terms energy: -230.253243
where:
bonds (distance) C4'-P energy: -52.559
bonds (distance) P-C4' energy: -61.523
flat angles C4'-P-C4' energy: -58.198
flat angles P-C4'-P energy: -40.334
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: 9, replica: 4
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -403.974275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.974275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.974275 (E_RNA)
where:
Base-Base interactions energy: -173.850
where: short stacking energy: -111.536
Base-Backbone interact. energy: 1.167
local terms energy: -231.290999
where:
bonds (distance) C4'-P energy: -59.695
bonds (distance) P-C4' energy: -64.066
flat angles C4'-P-C4' energy: -64.502
flat angles P-C4'-P energy: -32.863
tors. eta vs tors. theta energy: -10.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -289.774175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.774175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.774175 (E_RNA)
where:
Base-Base interactions energy: -105.025
where: short stacking energy: -81.455
Base-Backbone interact. energy: 1.079
local terms energy: -185.828722
where:
bonds (distance) C4'-P energy: -61.491
bonds (distance) P-C4' energy: -63.033
flat angles C4'-P-C4' energy: -50.837
flat angles P-C4'-P energy: -18.032
tors. eta vs tors. theta energy: 7.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1301.188595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.188595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.188595 (E_RNA)
where:
Base-Base interactions energy: -892.932
where: short stacking energy: -368.738
Base-Backbone interact. energy: 2.340
local terms energy: -410.596324
where:
bonds (distance) C4'-P energy: -74.846
bonds (distance) P-C4' energy: -72.082
flat angles C4'-P-C4' energy: -91.499
flat angles P-C4'-P energy: -57.844
tors. eta vs tors. theta energy: -114.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1247.042865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.042865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.042865 (E_RNA)
where:
Base-Base interactions energy: -858.977
where: short stacking energy: -366.783
Base-Backbone interact. energy: -2.282
local terms energy: -385.783649
where:
bonds (distance) C4'-P energy: -60.931
bonds (distance) P-C4' energy: -73.668
flat angles C4'-P-C4' energy: -93.581
flat angles P-C4'-P energy: -43.884
tors. eta vs tors. theta energy: -113.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1221.712583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.712583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.712583 (E_RNA)
where:
Base-Base interactions energy: -839.804
where: short stacking energy: -342.607
Base-Backbone interact. energy: -2.877
local terms energy: -379.032210
where:
bonds (distance) C4'-P energy: -66.632
bonds (distance) P-C4' energy: -74.612
flat angles C4'-P-C4' energy: -81.079
flat angles P-C4'-P energy: -48.741
tors. eta vs tors. theta energy: -107.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1066.545968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.545968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.545968 (E_RNA)
where:
Base-Base interactions energy: -737.579
where: short stacking energy: -287.824
Base-Backbone interact. energy: -1.394
local terms energy: -327.572369
where:
bonds (distance) C4'-P energy: -58.802
bonds (distance) P-C4' energy: -76.022
flat angles C4'-P-C4' energy: -68.107
flat angles P-C4'-P energy: -42.696
tors. eta vs tors. theta energy: -81.945
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: 5, replica: 3
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -963.771645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.771645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.771645 (E_RNA)
where:
Base-Base interactions energy: -626.824
where: short stacking energy: -282.286
Base-Backbone interact. energy: -1.064
local terms energy: -335.883842
where:
bonds (distance) C4'-P energy: -63.730
bonds (distance) P-C4' energy: -72.364
flat angles C4'-P-C4' energy: -74.515
flat angles P-C4'-P energy: -42.849
tors. eta vs tors. theta energy: -82.426
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: 5
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -887.142177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.142177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.142177 (E_RNA)
where:
Base-Base interactions energy: -581.976
where: short stacking energy: -256.918
Base-Backbone interact. energy: 2.018
local terms energy: -307.184318
where:
bonds (distance) C4'-P energy: -58.719
bonds (distance) P-C4' energy: -57.065
flat angles C4'-P-C4' energy: -77.684
flat angles P-C4'-P energy: -33.863
tors. eta vs tors. theta energy: -79.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -801.090924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.090924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.090924 (E_RNA)
where:
Base-Base interactions energy: -520.682
where: short stacking energy: -230.101
Base-Backbone interact. energy: -1.025
local terms energy: -279.384457
where:
bonds (distance) C4'-P energy: -60.539
bonds (distance) P-C4' energy: -62.765
flat angles C4'-P-C4' energy: -67.212
flat angles P-C4'-P energy: -48.062
tors. eta vs tors. theta energy: -40.807
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: 8, replica: 8
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -568.522964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.522964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.522964 (E_RNA)
where:
Base-Base interactions energy: -334.914
where: short stacking energy: -151.735
Base-Backbone interact. energy: -2.731
local terms energy: -230.878714
where:
bonds (distance) C4'-P energy: -66.142
bonds (distance) P-C4' energy: -55.281
flat angles C4'-P-C4' energy: -66.811
flat angles P-C4'-P energy: -37.243
tors. eta vs tors. theta energy: -5.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -400.932562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.932562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.932562 (E_RNA)
where:
Base-Base interactions energy: -200.089
where: short stacking energy: -127.896
Base-Backbone interact. energy: 2.788
local terms energy: -203.630831
where:
bonds (distance) C4'-P energy: -55.569
bonds (distance) P-C4' energy: -51.342
flat angles C4'-P-C4' energy: -62.501
flat angles P-C4'-P energy: -40.512
tors. eta vs tors. theta energy: 6.293
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: 6
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -298.594933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.594933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.594933 (E_RNA)
where:
Base-Base interactions energy: -103.733
where: short stacking energy: -83.872
Base-Backbone interact. energy: -0.086
local terms energy: -194.776813
where:
bonds (distance) C4'-P energy: -69.971
bonds (distance) P-C4' energy: -68.245
flat angles C4'-P-C4' energy: -47.980
flat angles P-C4'-P energy: -19.010
tors. eta vs tors. theta energy: 10.430
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: 1, replica: 2
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1291.853681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.853681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.853681 (E_RNA)
where:
Base-Base interactions energy: -870.252
where: short stacking energy: -368.396
Base-Backbone interact. energy: -0.968
local terms energy: -420.633996
where:
bonds (distance) C4'-P energy: -72.932
bonds (distance) P-C4' energy: -82.523
flat angles C4'-P-C4' energy: -90.031
flat angles P-C4'-P energy: -59.409
tors. eta vs tors. theta energy: -115.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1279.808480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.808480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.808480 (E_RNA)
where:
Base-Base interactions energy: -892.089
where: short stacking energy: -389.605
Base-Backbone interact. energy: -0.584
local terms energy: -387.136147
where:
bonds (distance) C4'-P energy: -66.643
bonds (distance) P-C4' energy: -68.545
flat angles C4'-P-C4' energy: -81.146
flat angles P-C4'-P energy: -51.959
tors. eta vs tors. theta energy: -118.843
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: 1
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1216.689584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.689584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.689584 (E_RNA)
where:
Base-Base interactions energy: -846.552
where: short stacking energy: -336.483
Base-Backbone interact. energy: 2.019
local terms energy: -372.155740
where:
bonds (distance) C4'-P energy: -73.152
bonds (distance) P-C4' energy: -65.513
flat angles C4'-P-C4' energy: -87.738
flat angles P-C4'-P energy: -43.939
tors. eta vs tors. theta energy: -101.813
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: 7
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1085.177508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.177508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.177508 (E_RNA)
where:
Base-Base interactions energy: -753.016
where: short stacking energy: -311.033
Base-Backbone interact. energy: -1.583
local terms energy: -330.577824
where:
bonds (distance) C4'-P energy: -58.799
bonds (distance) P-C4' energy: -71.174
flat angles C4'-P-C4' energy: -74.541
flat angles P-C4'-P energy: -47.190
tors. eta vs tors. theta energy: -78.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -996.766622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.766622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.766622 (E_RNA)
where:
Base-Base interactions energy: -662.145
where: short stacking energy: -286.077
Base-Backbone interact. energy: 0.388
local terms energy: -335.009928
where:
bonds (distance) C4'-P energy: -64.296
bonds (distance) P-C4' energy: -64.028
flat angles C4'-P-C4' energy: -70.007
flat angles P-C4'-P energy: -49.396
tors. eta vs tors. theta energy: -87.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -835.197056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.197056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.197056 (E_RNA)
where:
Base-Base interactions energy: -523.599
where: short stacking energy: -258.962
Base-Backbone interact. energy: -1.428
local terms energy: -310.170337
where:
bonds (distance) C4'-P energy: -57.608
bonds (distance) P-C4' energy: -73.635
flat angles C4'-P-C4' energy: -69.614
flat angles P-C4'-P energy: -48.262
tors. eta vs tors. theta energy: -61.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -759.735276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.735276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.735276 (E_RNA)
where:
Base-Base interactions energy: -482.478
where: short stacking energy: -235.876
Base-Backbone interact. energy: -2.981
local terms energy: -274.276757
where:
bonds (distance) C4'-P energy: -59.994
bonds (distance) P-C4' energy: -66.266
flat angles C4'-P-C4' energy: -60.741
flat angles P-C4'-P energy: -29.401
tors. eta vs tors. theta energy: -57.875
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: 8
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -541.037745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.037745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.037745 (E_RNA)
where:
Base-Base interactions energy: -287.095
where: short stacking energy: -155.690
Base-Backbone interact. energy: 0.417
local terms energy: -254.359966
where:
bonds (distance) C4'-P energy: -52.261
bonds (distance) P-C4' energy: -63.511
flat angles C4'-P-C4' energy: -59.247
flat angles P-C4'-P energy: -43.509
tors. eta vs tors. theta energy: -35.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -403.064186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.064186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.064186 (E_RNA)
where:
Base-Base interactions energy: -178.722
where: short stacking energy: -91.323
Base-Backbone interact. energy: 1.529
local terms energy: -225.871182
where:
bonds (distance) C4'-P energy: -57.174
bonds (distance) P-C4' energy: -67.750
flat angles C4'-P-C4' energy: -56.677
flat angles P-C4'-P energy: -46.972
tors. eta vs tors. theta energy: 2.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -278.567920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.567920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.567920 (E_RNA)
where:
Base-Base interactions energy: -92.770
where: short stacking energy: -80.127
Base-Backbone interact. energy: -1.336
local terms energy: -184.461909
where:
bonds (distance) C4'-P energy: -63.888
bonds (distance) P-C4' energy: -66.284
flat angles C4'-P-C4' energy: -46.649
flat angles P-C4'-P energy: -22.196
tors. eta vs tors. theta energy: 14.555
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: 264
Temperature: 0.900000
Total energy: -1323.337998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.337998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.337998 (E_RNA)
where:
Base-Base interactions energy: -902.671
where: short stacking energy: -386.440
Base-Backbone interact. energy: -1.063
local terms energy: -419.604280
where:
bonds (distance) C4'-P energy: -74.419
bonds (distance) P-C4' energy: -74.050
flat angles C4'-P-C4' energy: -83.573
flat angles P-C4'-P energy: -66.938
tors. eta vs tors. theta energy: -120.624
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: 9
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1261.170275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.170275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.170275 (E_RNA)
where:
Base-Base interactions energy: -844.447
where: short stacking energy: -361.902
Base-Backbone interact. energy: -0.547
local terms energy: -416.176911
where:
bonds (distance) C4'-P energy: -79.741
bonds (distance) P-C4' energy: -85.612
flat angles C4'-P-C4' energy: -74.805
flat angles P-C4'-P energy: -56.974
tors. eta vs tors. theta energy: -119.045
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: 1
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1232.214324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.214324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.214324 (E_RNA)
where:
Base-Base interactions energy: -853.933
where: short stacking energy: -374.762
Base-Backbone interact. energy: 1.798
local terms energy: -380.078550
where:
bonds (distance) C4'-P energy: -57.323
bonds (distance) P-C4' energy: -68.746
flat angles C4'-P-C4' energy: -80.275
flat angles P-C4'-P energy: -57.677
tors. eta vs tors. theta energy: -116.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1068.708193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.708193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.708193 (E_RNA)
where:
Base-Base interactions energy: -732.921
where: short stacking energy: -288.317
Base-Backbone interact. energy: -2.325
local terms energy: -333.461770
where:
bonds (distance) C4'-P energy: -77.902
bonds (distance) P-C4' energy: -69.381
flat angles C4'-P-C4' energy: -72.596
flat angles P-C4'-P energy: -35.335
tors. eta vs tors. theta energy: -78.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1008.117165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.117165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.117165 (E_RNA)
where:
Base-Base interactions energy: -683.649
where: short stacking energy: -296.800
Base-Backbone interact. energy: -1.705
local terms energy: -322.763005
where:
bonds (distance) C4'-P energy: -74.422
bonds (distance) P-C4' energy: -55.156
flat angles C4'-P-C4' energy: -59.971
flat angles P-C4'-P energy: -52.449
tors. eta vs tors. theta energy: -80.766
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: 10
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -860.095965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.095965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.095965 (E_RNA)
where:
Base-Base interactions energy: -546.750
where: short stacking energy: -256.117
Base-Backbone interact. energy: 0.614
local terms energy: -313.959990
where:
bonds (distance) C4'-P energy: -65.578
bonds (distance) P-C4' energy: -71.519
flat angles C4'-P-C4' energy: -60.819
flat angles P-C4'-P energy: -47.971
tors. eta vs tors. theta energy: -68.074
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: 5
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -817.297235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.297235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.297235 (E_RNA)
where:
Base-Base interactions energy: -533.316
where: short stacking energy: -219.452
Base-Backbone interact. energy: -2.795
local terms energy: -281.185708
where:
bonds (distance) C4'-P energy: -57.660
bonds (distance) P-C4' energy: -61.788
flat angles C4'-P-C4' energy: -66.840
flat angles P-C4'-P energy: -46.702
tors. eta vs tors. theta energy: -48.196
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: 8
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -483.398980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.398980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.398980 (E_RNA)
where:
Base-Base interactions energy: -239.683
where: short stacking energy: -122.885
Base-Backbone interact. energy: 1.423
local terms energy: -245.139432
where:
bonds (distance) C4'-P energy: -55.823
bonds (distance) P-C4' energy: -65.160
flat angles C4'-P-C4' energy: -63.408
flat angles P-C4'-P energy: -45.917
tors. eta vs tors. theta energy: -14.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -396.691578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.691578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.691578 (E_RNA)
where:
Base-Base interactions energy: -199.736
where: short stacking energy: -114.840
Base-Backbone interact. energy: 1.925
local terms energy: -198.879786
where:
bonds (distance) C4'-P energy: -49.581
bonds (distance) P-C4' energy: -59.713
flat angles C4'-P-C4' energy: -49.213
flat angles P-C4'-P energy: -44.619
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: 10, replica: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -299.104844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.104844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.104844 (E_RNA)
where:
Base-Base interactions energy: -75.058
where: short stacking energy: -67.014
Base-Backbone interact. energy: 2.375
local terms energy: -226.421299
where:
bonds (distance) C4'-P energy: -64.159
bonds (distance) P-C4' energy: -74.595
flat angles C4'-P-C4' energy: -59.598
flat angles P-C4'-P energy: -33.311
tors. eta vs tors. theta energy: 5.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1314.182930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.182930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.182930 (E_RNA)
where:
Base-Base interactions energy: -887.303
where: short stacking energy: -383.066
Base-Backbone interact. energy: -0.791
local terms energy: -426.088276
where:
bonds (distance) C4'-P energy: -75.701
bonds (distance) P-C4' energy: -80.577
flat angles C4'-P-C4' energy: -92.308
flat angles P-C4'-P energy: -58.916
tors. eta vs tors. theta energy: -118.585
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: 9
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1252.431633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.431633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.431633 (E_RNA)
where:
Base-Base interactions energy: -846.124
where: short stacking energy: -365.813
Base-Backbone interact. energy: -1.796
local terms energy: -404.512262
where:
bonds (distance) C4'-P energy: -80.848
bonds (distance) P-C4' energy: -69.857
flat angles C4'-P-C4' energy: -76.051
flat angles P-C4'-P energy: -56.034
tors. eta vs tors. theta energy: -121.723
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: 3, replica: 1
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1238.748943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.748943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.748943 (E_RNA)
where:
Base-Base interactions energy: -845.108
where: short stacking energy: -368.731
Base-Backbone interact. energy: -1.003
local terms energy: -392.637085
where:
bonds (distance) C4'-P energy: -67.734
bonds (distance) P-C4' energy: -80.799
flat angles C4'-P-C4' energy: -80.728
flat angles P-C4'-P energy: -47.270
tors. eta vs tors. theta energy: -116.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1091.554529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.554529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.554529 (E_RNA)
where:
Base-Base interactions energy: -753.021
where: short stacking energy: -305.598
Base-Backbone interact. energy: 2.981
local terms energy: -341.514343
where:
bonds (distance) C4'-P energy: -74.891
bonds (distance) P-C4' energy: -65.703
flat angles C4'-P-C4' energy: -68.338
flat angles P-C4'-P energy: -53.136
tors. eta vs tors. theta energy: -79.446
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: 5, replica: 3
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1013.307144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.307144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.307144 (E_RNA)
where:
Base-Base interactions energy: -681.734
where: short stacking energy: -311.924
Base-Backbone interact. energy: -1.445
local terms energy: -330.128542
where:
bonds (distance) C4'-P energy: -59.454
bonds (distance) P-C4' energy: -59.303
flat angles C4'-P-C4' energy: -77.844
flat angles P-C4'-P energy: -46.915
tors. eta vs tors. theta energy: -86.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -845.025523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.025523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.025523 (E_RNA)
where:
Base-Base interactions energy: -528.292
where: short stacking energy: -248.207
Base-Backbone interact. energy: 0.220
local terms energy: -316.953454
where:
bonds (distance) C4'-P energy: -69.087
bonds (distance) P-C4' energy: -69.670
flat angles C4'-P-C4' energy: -65.835
flat angles P-C4'-P energy: -50.838
tors. eta vs tors. theta energy: -61.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -819.653611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.653611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.653611 (E_RNA)
where:
Base-Base interactions energy: -537.431
where: short stacking energy: -251.875
Base-Backbone interact. energy: 2.545
local terms energy: -284.767208
where:
bonds (distance) C4'-P energy: -61.767
bonds (distance) P-C4' energy: -66.926
flat angles C4'-P-C4' energy: -57.471
flat angles P-C4'-P energy: -47.745
tors. eta vs tors. theta energy: -50.858
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: 8
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -540.770810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.770810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.770810 (E_RNA)
where:
Base-Base interactions energy: -312.919
where: short stacking energy: -159.051
Base-Backbone interact. energy: 0.093
local terms energy: -227.944748
where:
bonds (distance) C4'-P energy: -56.798
bonds (distance) P-C4' energy: -55.728
flat angles C4'-P-C4' energy: -60.465
flat angles P-C4'-P energy: -31.479
tors. eta vs tors. theta energy: -23.475
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: 4
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -410.354505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.354505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.354505 (E_RNA)
where:
Base-Base interactions energy: -183.569
where: short stacking energy: -111.850
Base-Backbone interact. energy: 0.327
local terms energy: -227.112655
where:
bonds (distance) C4'-P energy: -51.747
bonds (distance) P-C4' energy: -57.341
flat angles C4'-P-C4' energy: -64.453
flat angles P-C4'-P energy: -35.338
tors. eta vs tors. theta energy: -18.234
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: 265
Temperature: 1.350000
Total energy: -313.605988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.605988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.605988 (E_RNA)
where:
Base-Base interactions energy: -97.769
where: short stacking energy: -59.787
Base-Backbone interact. energy: 0.951
local terms energy: -216.787651
where:
bonds (distance) C4'-P energy: -59.329
bonds (distance) P-C4' energy: -49.571
flat angles C4'-P-C4' energy: -65.619
flat angles P-C4'-P energy: -46.950
tors. eta vs tors. theta energy: 4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1314.539024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.539024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.539024 (E_RNA)
where:
Base-Base interactions energy: -900.428
where: short stacking energy: -396.083
Base-Backbone interact. energy: -2.161
local terms energy: -411.949153
where:
bonds (distance) C4'-P energy: -70.164
bonds (distance) P-C4' energy: -82.322
flat angles C4'-P-C4' energy: -80.199
flat angles P-C4'-P energy: -58.925
tors. eta vs tors. theta energy: -120.339
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: 9
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1236.610689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.610689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.610689 (E_RNA)
where:
Base-Base interactions energy: -830.598
where: short stacking energy: -363.791
Base-Backbone interact. energy: 1.039
local terms energy: -407.051712
where:
bonds (distance) C4'-P energy: -70.324
bonds (distance) P-C4' energy: -74.078
flat angles C4'-P-C4' energy: -90.232
flat angles P-C4'-P energy: -55.381
tors. eta vs tors. theta energy: -117.036
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: 1
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1216.377683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.377683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.377683 (E_RNA)
where:
Base-Base interactions energy: -828.188
where: short stacking energy: -357.910
Base-Backbone interact. energy: -4.005
local terms energy: -384.184676
where:
bonds (distance) C4'-P energy: -63.169
bonds (distance) P-C4' energy: -78.265
flat angles C4'-P-C4' energy: -77.370
flat angles P-C4'-P energy: -48.177
tors. eta vs tors. theta energy: -117.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1082.316290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.316290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.316290 (E_RNA)
where:
Base-Base interactions energy: -734.448
where: short stacking energy: -310.810
Base-Backbone interact. energy: 1.690
local terms energy: -349.558562
where:
bonds (distance) C4'-P energy: -72.116
bonds (distance) P-C4' energy: -65.985
flat angles C4'-P-C4' energy: -75.024
flat angles P-C4'-P energy: -49.015
tors. eta vs tors. theta energy: -87.418
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: 3
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -938.492317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.492317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.492317 (E_RNA)
where:
Base-Base interactions energy: -606.564
where: short stacking energy: -257.639
Base-Backbone interact. energy: -0.157
local terms energy: -331.771480
where:
bonds (distance) C4'-P energy: -70.659
bonds (distance) P-C4' energy: -76.362
flat angles C4'-P-C4' energy: -72.082
flat angles P-C4'-P energy: -45.474
tors. eta vs tors. theta energy: -67.195
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: 6, replica: 10
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -850.291167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.291167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.291167 (E_RNA)
where:
Base-Base interactions energy: -531.983
where: short stacking energy: -260.233
Base-Backbone interact. energy: 3.475
local terms energy: -321.783085
where:
bonds (distance) C4'-P energy: -70.226
bonds (distance) P-C4' energy: -65.951
flat angles C4'-P-C4' energy: -66.784
flat angles P-C4'-P energy: -49.885
tors. eta vs tors. theta energy: -68.938
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: 7, replica: 5
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -771.669587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.669587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.669587 (E_RNA)
where:
Base-Base interactions energy: -477.817
where: short stacking energy: -197.927
Base-Backbone interact. energy: -0.085
local terms energy: -293.767064
where:
bonds (distance) C4'-P energy: -72.884
bonds (distance) P-C4' energy: -58.905
flat angles C4'-P-C4' energy: -68.606
flat angles P-C4'-P energy: -42.417
tors. eta vs tors. theta energy: -50.956
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: 8
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -534.337404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.337404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.337404 (E_RNA)
where:
Base-Base interactions energy: -302.092
where: short stacking energy: -162.705
Base-Backbone interact. energy: -0.388
local terms energy: -231.857297
where:
bonds (distance) C4'-P energy: -52.461
bonds (distance) P-C4' energy: -63.482
flat angles C4'-P-C4' energy: -60.950
flat angles P-C4'-P energy: -27.872
tors. eta vs tors. theta energy: -27.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -404.397597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.397597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.397597 (E_RNA)
where:
Base-Base interactions energy: -182.830
where: short stacking energy: -106.008
Base-Backbone interact. energy: 0.014
local terms energy: -221.581933
where:
bonds (distance) C4'-P energy: -61.651
bonds (distance) P-C4' energy: -58.539
flat angles C4'-P-C4' energy: -65.593
flat angles P-C4'-P energy: -42.353
tors. eta vs tors. theta energy: 6.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -321.187074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.187074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.187074 (E_RNA)
where:
Base-Base interactions energy: -117.112
where: short stacking energy: -98.917
Base-Backbone interact. energy: 2.403
local terms energy: -206.477868
where:
bonds (distance) C4'-P energy: -42.655
bonds (distance) P-C4' energy: -70.842
flat angles C4'-P-C4' energy: -55.692
flat angles P-C4'-P energy: -40.552
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: 267
Temperature: 0.900000
Total energy: -1310.900845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.900845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.900845 (E_RNA)
where:
Base-Base interactions energy: -912.145
where: short stacking energy: -396.756
Base-Backbone interact. energy: -0.598
local terms energy: -398.157080
where:
bonds (distance) C4'-P energy: -64.965
bonds (distance) P-C4' energy: -72.086
flat angles C4'-P-C4' energy: -84.751
flat angles P-C4'-P energy: -55.380
tors. eta vs tors. theta energy: -120.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1258.163898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.163898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.163898 (E_RNA)
where:
Base-Base interactions energy: -873.504
where: short stacking energy: -381.054
Base-Backbone interact. energy: -2.727
local terms energy: -381.932663
where:
bonds (distance) C4'-P energy: -62.806
bonds (distance) P-C4' energy: -67.721
flat angles C4'-P-C4' energy: -70.964
flat angles P-C4'-P energy: -61.079
tors. eta vs tors. theta energy: -119.363
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: 9
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1229.400521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.400521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.400521 (E_RNA)
where:
Base-Base interactions energy: -833.110
where: short stacking energy: -368.750
Base-Backbone interact. energy: 0.006
local terms energy: -396.295958
where:
bonds (distance) C4'-P energy: -71.183
bonds (distance) P-C4' energy: -66.963
flat angles C4'-P-C4' energy: -88.042
flat angles P-C4'-P energy: -55.177
tors. eta vs tors. theta energy: -114.931
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: 7
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1043.596760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.596760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.596760 (E_RNA)
where:
Base-Base interactions energy: -736.443
where: short stacking energy: -281.390
Base-Backbone interact. energy: -0.341
local terms energy: -306.812852
where:
bonds (distance) C4'-P energy: -63.954
bonds (distance) P-C4' energy: -59.388
flat angles C4'-P-C4' energy: -78.506
flat angles P-C4'-P energy: -35.301
tors. eta vs tors. theta energy: -69.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -961.734426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.734426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.734426 (E_RNA)
where:
Base-Base interactions energy: -657.128
where: short stacking energy: -277.476
Base-Backbone interact. energy: 0.685
local terms energy: -305.291608
where:
bonds (distance) C4'-P energy: -56.743
bonds (distance) P-C4' energy: -74.410
flat angles C4'-P-C4' energy: -61.205
flat angles P-C4'-P energy: -39.280
tors. eta vs tors. theta energy: -73.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -845.581789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.581789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.581789 (E_RNA)
where:
Base-Base interactions energy: -527.599
where: short stacking energy: -260.945
Base-Backbone interact. energy: -1.974
local terms energy: -316.008091
where:
bonds (distance) C4'-P energy: -65.948
bonds (distance) P-C4' energy: -74.103
flat angles C4'-P-C4' energy: -65.640
flat angles P-C4'-P energy: -42.560
tors. eta vs tors. theta energy: -67.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -761.832784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.832784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.832784 (E_RNA)
where:
Base-Base interactions energy: -469.113
where: short stacking energy: -196.994
Base-Backbone interact. energy: -1.321
local terms energy: -291.398467
where:
bonds (distance) C4'-P energy: -57.010
bonds (distance) P-C4' energy: -67.757
flat angles C4'-P-C4' energy: -70.740
flat angles P-C4'-P energy: -49.886
tors. eta vs tors. theta energy: -46.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -561.359344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.359344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.359344 (E_RNA)
where:
Base-Base interactions energy: -326.838
where: short stacking energy: -151.580
Base-Backbone interact. energy: -1.836
local terms energy: -232.684480
where:
bonds (distance) C4'-P energy: -61.019
bonds (distance) P-C4' energy: -62.767
flat angles C4'-P-C4' energy: -57.927
flat angles P-C4'-P energy: -35.449
tors. eta vs tors. theta energy: -15.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -405.097978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.097978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.097978 (E_RNA)
where:
Base-Base interactions energy: -194.327
where: short stacking energy: -109.684
Base-Backbone interact. energy: -1.740
local terms energy: -209.030706
where:
bonds (distance) C4'-P energy: -68.196
bonds (distance) P-C4' energy: -48.427
flat angles C4'-P-C4' energy: -50.817
flat angles P-C4'-P energy: -39.453
tors. eta vs tors. theta energy: -2.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -308.875196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.875196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.875196 (E_RNA)
where:
Base-Base interactions energy: -119.335
where: short stacking energy: -68.887
Base-Backbone interact. energy: 3.049
local terms energy: -192.589258
where:
bonds (distance) C4'-P energy: -71.593
bonds (distance) P-C4' energy: -53.085
flat angles C4'-P-C4' energy: -48.561
flat angles P-C4'-P energy: -27.789
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: 1, replica: 2
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1298.726793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.726793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.726793 (E_RNA)
where:
Base-Base interactions energy: -898.947
where: short stacking energy: -370.290
Base-Backbone interact. energy: -0.249
local terms energy: -399.530470
where:
bonds (distance) C4'-P energy: -73.397
bonds (distance) P-C4' energy: -80.223
flat angles C4'-P-C4' energy: -85.217
flat angles P-C4'-P energy: -54.030
tors. eta vs tors. theta energy: -106.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1253.315039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.315039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.315039 (E_RNA)
where:
Base-Base interactions energy: -868.796
where: short stacking energy: -380.845
Base-Backbone interact. energy: -2.699
local terms energy: -381.820658
where:
bonds (distance) C4'-P energy: -69.177
bonds (distance) P-C4' energy: -71.865
flat angles C4'-P-C4' energy: -75.589
flat angles P-C4'-P energy: -46.630
tors. eta vs tors. theta energy: -118.560
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: 3, replica: 9
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1184.709217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.709217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.709217 (E_RNA)
where:
Base-Base interactions energy: -813.870
where: short stacking energy: -347.954
Base-Backbone interact. energy: -1.526
local terms energy: -369.312554
where:
bonds (distance) C4'-P energy: -65.040
bonds (distance) P-C4' energy: -65.520
flat angles C4'-P-C4' energy: -80.057
flat angles P-C4'-P energy: -46.084
tors. eta vs tors. theta energy: -112.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1116.845191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.845191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.845191 (E_RNA)
where:
Base-Base interactions energy: -761.154
where: short stacking energy: -325.972
Base-Backbone interact. energy: -3.245
local terms energy: -352.446237
where:
bonds (distance) C4'-P energy: -77.334
bonds (distance) P-C4' energy: -60.136
flat angles C4'-P-C4' energy: -75.818
flat angles P-C4'-P energy: -44.762
tors. eta vs tors. theta energy: -94.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -976.686984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.686984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.686984 (E_RNA)
where:
Base-Base interactions energy: -641.704
where: short stacking energy: -282.774
Base-Backbone interact. energy: -0.316
local terms energy: -334.666168
where:
bonds (distance) C4'-P energy: -56.392
bonds (distance) P-C4' energy: -67.552
flat angles C4'-P-C4' energy: -76.208
flat angles P-C4'-P energy: -49.836
tors. eta vs tors. theta energy: -84.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -811.076689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.076689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.076689 (E_RNA)
where:
Base-Base interactions energy: -505.658
where: short stacking energy: -224.687
Base-Backbone interact. energy: -0.440
local terms energy: -304.979376
where:
bonds (distance) C4'-P energy: -63.924
bonds (distance) P-C4' energy: -65.047
flat angles C4'-P-C4' energy: -68.545
flat angles P-C4'-P energy: -53.265
tors. eta vs tors. theta energy: -54.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -736.183768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.183768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.183768 (E_RNA)
where:
Base-Base interactions energy: -455.783
where: short stacking energy: -194.239
Base-Backbone interact. energy: -2.107
local terms energy: -278.294590
where:
bonds (distance) C4'-P energy: -68.253
bonds (distance) P-C4' energy: -60.474
flat angles C4'-P-C4' energy: -58.761
flat angles P-C4'-P energy: -42.855
tors. eta vs tors. theta energy: -47.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -561.565139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.565139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.565139 (E_RNA)
where:
Base-Base interactions energy: -292.996
where: short stacking energy: -146.685
Base-Backbone interact. energy: -2.758
local terms energy: -265.810648
where:
bonds (distance) C4'-P energy: -74.518
bonds (distance) P-C4' energy: -71.729
flat angles C4'-P-C4' energy: -64.387
flat angles P-C4'-P energy: -25.666
tors. eta vs tors. theta energy: -29.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -388.538502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.538502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.538502 (E_RNA)
where:
Base-Base interactions energy: -172.495
where: short stacking energy: -96.672
Base-Backbone interact. energy: 3.638
local terms energy: -219.680979
where:
bonds (distance) C4'-P energy: -70.895
bonds (distance) P-C4' energy: -69.101
flat angles C4'-P-C4' energy: -52.299
flat angles P-C4'-P energy: -34.947
tors. eta vs tors. theta energy: 7.562
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: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -300.154974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.154974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.154974 (E_RNA)
where:
Base-Base interactions energy: -84.163
where: short stacking energy: -65.901
Base-Backbone interact. energy: 0.943
local terms energy: -216.935453
where:
bonds (distance) C4'-P energy: -60.548
bonds (distance) P-C4' energy: -71.463
flat angles C4'-P-C4' energy: -62.378
flat angles P-C4'-P energy: -34.403
tors. eta vs tors. theta energy: 11.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1292.061749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.061749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.061749 (E_RNA)
where:
Base-Base interactions energy: -883.061
where: short stacking energy: -373.432
Base-Backbone interact. energy: -2.571
local terms energy: -406.429764
where:
bonds (distance) C4'-P energy: -67.867
bonds (distance) P-C4' energy: -82.336
flat angles C4'-P-C4' energy: -89.898
flat angles P-C4'-P energy: -50.398
tors. eta vs tors. theta energy: -115.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1236.719315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.719315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.719315 (E_RNA)
where:
Base-Base interactions energy: -853.232
where: short stacking energy: -347.793
Base-Backbone interact. energy: -3.388
local terms energy: -380.100085
where:
bonds (distance) C4'-P energy: -65.422
bonds (distance) P-C4' energy: -76.336
flat angles C4'-P-C4' energy: -77.441
flat angles P-C4'-P energy: -55.527
tors. eta vs tors. theta energy: -105.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1206.547135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.547135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.547135 (E_RNA)
where:
Base-Base interactions energy: -808.020
where: short stacking energy: -356.461
Base-Backbone interact. energy: -0.533
local terms energy: -397.993847
where:
bonds (distance) C4'-P energy: -77.361
bonds (distance) P-C4' energy: -67.345
flat angles C4'-P-C4' energy: -79.788
flat angles P-C4'-P energy: -58.169
tors. eta vs tors. theta energy: -115.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1083.305449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.305449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.305449 (E_RNA)
where:
Base-Base interactions energy: -734.806
where: short stacking energy: -299.808
Base-Backbone interact. energy: -1.735
local terms energy: -346.764674
where:
bonds (distance) C4'-P energy: -66.571
bonds (distance) P-C4' energy: -76.820
flat angles C4'-P-C4' energy: -68.482
flat angles P-C4'-P energy: -45.909
tors. eta vs tors. theta energy: -88.982
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: 3
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1004.757211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.757211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.757211 (E_RNA)
where:
Base-Base interactions energy: -662.673
where: short stacking energy: -304.088
Base-Backbone interact. energy: 0.101
local terms energy: -342.185428
where:
bonds (distance) C4'-P energy: -69.755
bonds (distance) P-C4' energy: -64.436
flat angles C4'-P-C4' energy: -78.034
flat angles P-C4'-P energy: -42.774
tors. eta vs tors. theta energy: -87.187
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: 10
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -857.989116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.989116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.989116 (E_RNA)
where:
Base-Base interactions energy: -539.233
where: short stacking energy: -255.543
Base-Backbone interact. energy: 1.239
local terms energy: -319.995656
where:
bonds (distance) C4'-P energy: -69.104
bonds (distance) P-C4' energy: -53.982
flat angles C4'-P-C4' energy: -73.927
flat angles P-C4'-P energy: -46.706
tors. eta vs tors. theta energy: -76.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -758.758734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.758734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.758734 (E_RNA)
where:
Base-Base interactions energy: -486.295
where: short stacking energy: -227.056
Base-Backbone interact. energy: 0.628
local terms energy: -273.091779
where:
bonds (distance) C4'-P energy: -41.830
bonds (distance) P-C4' energy: -69.074
flat angles C4'-P-C4' energy: -65.741
flat angles P-C4'-P energy: -42.895
tors. eta vs tors. theta energy: -53.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -553.034008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.034008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.034008 (E_RNA)
where:
Base-Base interactions energy: -319.156
where: short stacking energy: -145.942
Base-Backbone interact. energy: -1.334
local terms energy: -232.543382
where:
bonds (distance) C4'-P energy: -56.923
bonds (distance) P-C4' energy: -63.644
flat angles C4'-P-C4' energy: -62.965
flat angles P-C4'-P energy: -30.654
tors. eta vs tors. theta energy: -18.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -410.226266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.226266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.226266 (E_RNA)
where:
Base-Base interactions energy: -193.388
where: short stacking energy: -117.110
Base-Backbone interact. energy: -0.469
local terms energy: -216.369897
where:
bonds (distance) C4'-P energy: -55.711
bonds (distance) P-C4' energy: -63.116
flat angles C4'-P-C4' energy: -50.342
flat angles P-C4'-P energy: -34.921
tors. eta vs tors. theta energy: -12.280
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: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -291.442724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.442724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.442724 (E_RNA)
where:
Base-Base interactions energy: -81.701
where: short stacking energy: -71.953
Base-Backbone interact. energy: 2.835
local terms energy: -212.576545
where:
bonds (distance) C4'-P energy: -47.506
bonds (distance) P-C4' energy: -66.545
flat angles C4'-P-C4' energy: -57.887
flat angles P-C4'-P energy: -42.587
tors. eta vs tors. theta energy: 1.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1287.132303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.132303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.132303 (E_RNA)
where:
Base-Base interactions energy: -882.918
where: short stacking energy: -385.469
Base-Backbone interact. energy: -0.496
local terms energy: -403.718652
where:
bonds (distance) C4'-P energy: -65.447
bonds (distance) P-C4' energy: -76.974
flat angles C4'-P-C4' energy: -85.677
flat angles P-C4'-P energy: -53.879
tors. eta vs tors. theta energy: -121.741
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: 1
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1249.060809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.060809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.060809 (E_RNA)
where:
Base-Base interactions energy: -849.609
where: short stacking energy: -354.305
Base-Backbone interact. energy: -1.060
local terms energy: -398.391982
where:
bonds (distance) C4'-P energy: -75.109
bonds (distance) P-C4' energy: -73.204
flat angles C4'-P-C4' energy: -75.204
flat angles P-C4'-P energy: -59.168
tors. eta vs tors. theta energy: -115.707
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: 9
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1205.933493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.933493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.933493 (E_RNA)
where:
Base-Base interactions energy: -831.246
where: short stacking energy: -362.068
Base-Backbone interact. energy: -0.349
local terms energy: -374.338572
where:
bonds (distance) C4'-P energy: -56.544
bonds (distance) P-C4' energy: -59.191
flat angles C4'-P-C4' energy: -83.182
flat angles P-C4'-P energy: -58.258
tors. eta vs tors. theta energy: -117.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1072.805792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.805792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.805792 (E_RNA)
where:
Base-Base interactions energy: -728.631
where: short stacking energy: -298.100
Base-Backbone interact. energy: -1.612
local terms energy: -342.562914
where:
bonds (distance) C4'-P energy: -73.211
bonds (distance) P-C4' energy: -66.584
flat angles C4'-P-C4' energy: -78.136
flat angles P-C4'-P energy: -44.820
tors. eta vs tors. theta energy: -79.812
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: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -945.635654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.635654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.635654 (E_RNA)
where:
Base-Base interactions energy: -628.447
where: short stacking energy: -287.257
Base-Backbone interact. energy: -1.393
local terms energy: -315.795190
where:
bonds (distance) C4'-P energy: -55.020
bonds (distance) P-C4' energy: -67.008
flat angles C4'-P-C4' energy: -65.280
flat angles P-C4'-P energy: -54.109
tors. eta vs tors. theta energy: -74.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -894.250727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.250727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.250727 (E_RNA)
where:
Base-Base interactions energy: -590.465
where: short stacking energy: -292.757
Base-Backbone interact. energy: -0.432
local terms energy: -303.353543
where:
bonds (distance) C4'-P energy: -67.659
bonds (distance) P-C4' energy: -61.865
flat angles C4'-P-C4' energy: -55.661
flat angles P-C4'-P energy: -39.902
tors. eta vs tors. theta energy: -78.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -764.983003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.983003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.983003 (E_RNA)
where:
Base-Base interactions energy: -490.257
where: short stacking energy: -229.461
Base-Backbone interact. energy: -0.293
local terms energy: -274.433098
where:
bonds (distance) C4'-P energy: -55.901
bonds (distance) P-C4' energy: -50.878
flat angles C4'-P-C4' energy: -77.317
flat angles P-C4'-P energy: -41.206
tors. eta vs tors. theta energy: -49.132
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: 8
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -510.727227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.727227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.727227 (E_RNA)
where:
Base-Base interactions energy: -262.126
where: short stacking energy: -151.127
Base-Backbone interact. energy: -1.425
local terms energy: -247.175890
where:
bonds (distance) C4'-P energy: -64.927
bonds (distance) P-C4' energy: -74.381
flat angles C4'-P-C4' energy: -57.710
flat angles P-C4'-P energy: -29.065
tors. eta vs tors. theta energy: -21.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -314.316292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.316292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.316292 (E_RNA)
where:
Base-Base interactions energy: -125.275
where: short stacking energy: -85.180
Base-Backbone interact. energy: -0.286
local terms energy: -188.755629
where:
bonds (distance) C4'-P energy: -52.822
bonds (distance) P-C4' energy: -66.455
flat angles C4'-P-C4' energy: -52.307
flat angles P-C4'-P energy: -18.249
tors. eta vs tors. theta energy: 1.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -345.272417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.272417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.272417 (E_RNA)
where:
Base-Base interactions energy: -152.694
where: short stacking energy: -88.138
Base-Backbone interact. energy: -1.931
local terms energy: -190.647376
where:
bonds (distance) C4'-P energy: -56.662
bonds (distance) P-C4' energy: -57.370
flat angles C4'-P-C4' energy: -61.909
flat angles P-C4'-P energy: -28.584
tors. eta vs tors. theta energy: 13.878
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: 2
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1318.422508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.422508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.422508 (E_RNA)
where:
Base-Base interactions energy: -907.221
where: short stacking energy: -405.214
Base-Backbone interact. energy: 1.721
local terms energy: -412.923084
where:
bonds (distance) C4'-P energy: -68.479
bonds (distance) P-C4' energy: -73.986
flat angles C4'-P-C4' energy: -90.666
flat angles P-C4'-P energy: -58.760
tors. eta vs tors. theta energy: -121.032
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: 1
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1247.920770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.920770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.920770 (E_RNA)
where:
Base-Base interactions energy: -845.442
where: short stacking energy: -350.015
Base-Backbone interact. energy: -3.376
local terms energy: -399.102748
where:
bonds (distance) C4'-P energy: -65.540
bonds (distance) P-C4' energy: -86.773
flat angles C4'-P-C4' energy: -87.148
flat angles P-C4'-P energy: -47.765
tors. eta vs tors. theta energy: -111.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1188.774377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.774377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.774377 (E_RNA)
where:
Base-Base interactions energy: -818.108
where: short stacking energy: -349.581
Base-Backbone interact. energy: -0.756
local terms energy: -369.910349
where:
bonds (distance) C4'-P energy: -70.914
bonds (distance) P-C4' energy: -67.762
flat angles C4'-P-C4' energy: -78.925
flat angles P-C4'-P energy: -53.043
tors. eta vs tors. theta energy: -99.267
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: 7
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1099.757509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.757509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.757509 (E_RNA)
where:
Base-Base interactions energy: -738.195
where: short stacking energy: -300.514
Base-Backbone interact. energy: -0.125
local terms energy: -361.437069
where:
bonds (distance) C4'-P energy: -78.825
bonds (distance) P-C4' energy: -81.673
flat angles C4'-P-C4' energy: -75.623
flat angles P-C4'-P energy: -50.542
tors. eta vs tors. theta energy: -74.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -939.465162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.465162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.465162 (E_RNA)
where:
Base-Base interactions energy: -597.708
where: short stacking energy: -257.337
Base-Backbone interact. energy: -0.473
local terms energy: -341.284829
where:
bonds (distance) C4'-P energy: -70.219
bonds (distance) P-C4' energy: -74.486
flat angles C4'-P-C4' energy: -77.102
flat angles P-C4'-P energy: -54.455
tors. eta vs tors. theta energy: -65.023
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: 6, replica: 10
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -846.410527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.410527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.410527 (E_RNA)
where:
Base-Base interactions energy: -548.340
where: short stacking energy: -260.379
Base-Backbone interact. energy: -1.315
local terms energy: -296.754796
where:
bonds (distance) C4'-P energy: -53.535
bonds (distance) P-C4' energy: -60.434
flat angles C4'-P-C4' energy: -66.454
flat angles P-C4'-P energy: -40.977
tors. eta vs tors. theta energy: -75.356
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: 5
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -757.778187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.778187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.778187 (E_RNA)
where:
Base-Base interactions energy: -463.325
where: short stacking energy: -213.609
Base-Backbone interact. energy: -1.000
local terms energy: -293.453692
where:
bonds (distance) C4'-P energy: -42.658
bonds (distance) P-C4' energy: -83.867
flat angles C4'-P-C4' energy: -65.208
flat angles P-C4'-P energy: -39.148
tors. eta vs tors. theta energy: -62.572
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: 8, replica: 8
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -533.301141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.301141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.301141 (E_RNA)
where:
Base-Base interactions energy: -285.077
where: short stacking energy: -128.064
Base-Backbone interact. energy: 0.087
local terms energy: -248.311104
where:
bonds (distance) C4'-P energy: -74.960
bonds (distance) P-C4' energy: -61.110
flat angles C4'-P-C4' energy: -62.337
flat angles P-C4'-P energy: -37.204
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: 9, replica: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -322.397964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.397964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.397964 (E_RNA)
where:
Base-Base interactions energy: -123.583
where: short stacking energy: -92.139
Base-Backbone interact. energy: 1.050
local terms energy: -199.864581
where:
bonds (distance) C4'-P energy: -46.961
bonds (distance) P-C4' energy: -54.337
flat angles C4'-P-C4' energy: -72.925
flat angles P-C4'-P energy: -26.880
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: 10, replica: 4
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -298.489486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.489486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.489486 (E_RNA)
where:
Base-Base interactions energy: -94.182
where: short stacking energy: -88.449
Base-Backbone interact. energy: -1.039
local terms energy: -203.268613
where:
bonds (distance) C4'-P energy: -66.037
bonds (distance) P-C4' energy: -77.407
flat angles C4'-P-C4' energy: -58.047
flat angles P-C4'-P energy: -22.644
tors. eta vs tors. theta energy: 20.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1268.721187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.721187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.721187 (E_RNA)
where:
Base-Base interactions energy: -886.213
where: short stacking energy: -359.175
Base-Backbone interact. energy: -1.049
local terms energy: -381.459115
where:
bonds (distance) C4'-P energy: -65.266
bonds (distance) P-C4' energy: -68.461
flat angles C4'-P-C4' energy: -86.474
flat angles P-C4'-P energy: -52.704
tors. eta vs tors. theta energy: -108.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1270.062436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.062436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.062436 (E_RNA)
where:
Base-Base interactions energy: -859.609
where: short stacking energy: -387.266
Base-Backbone interact. energy: 1.484
local terms energy: -411.937006
where:
bonds (distance) C4'-P energy: -77.473
bonds (distance) P-C4' energy: -73.925
flat angles C4'-P-C4' energy: -84.295
flat angles P-C4'-P energy: -60.092
tors. eta vs tors. theta energy: -116.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1198.873445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.873445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.873445 (E_RNA)
where:
Base-Base interactions energy: -830.268
where: short stacking energy: -361.522
Base-Backbone interact. energy: -0.048
local terms energy: -368.557871
where:
bonds (distance) C4'-P energy: -65.121
bonds (distance) P-C4' energy: -74.932
flat angles C4'-P-C4' energy: -71.705
flat angles P-C4'-P energy: -35.587
tors. eta vs tors. theta energy: -121.213
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: 4, replica: 7
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1038.279619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.279619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.279619 (E_RNA)
where:
Base-Base interactions energy: -707.256
where: short stacking energy: -293.738
Base-Backbone interact. energy: -2.335
local terms energy: -328.688212
where:
bonds (distance) C4'-P energy: -52.799
bonds (distance) P-C4' energy: -64.474
flat angles C4'-P-C4' energy: -83.041
flat angles P-C4'-P energy: -54.539
tors. eta vs tors. theta energy: -73.836
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: 3
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -949.152306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.152306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.152306 (E_RNA)
where:
Base-Base interactions energy: -620.683
where: short stacking energy: -259.768
Base-Backbone interact. energy: -0.204
local terms energy: -328.264928
where:
bonds (distance) C4'-P energy: -72.296
bonds (distance) P-C4' energy: -87.818
flat angles C4'-P-C4' energy: -71.605
flat angles P-C4'-P energy: -35.639
tors. eta vs tors. theta energy: -60.907
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: 10
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -834.982766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.982766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.982766 (E_RNA)
where:
Base-Base interactions energy: -519.984
where: short stacking energy: -241.696
Base-Backbone interact. energy: 1.645
local terms energy: -316.643548
where:
bonds (distance) C4'-P energy: -68.495
bonds (distance) P-C4' energy: -72.468
flat angles C4'-P-C4' energy: -59.049
flat angles P-C4'-P energy: -52.067
tors. eta vs tors. theta energy: -64.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -734.593121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.593121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.593121 (E_RNA)
where:
Base-Base interactions energy: -450.530
where: short stacking energy: -194.321
Base-Backbone interact. energy: 0.069
local terms energy: -284.132063
where:
bonds (distance) C4'-P energy: -63.164
bonds (distance) P-C4' energy: -61.692
flat angles C4'-P-C4' energy: -66.907
flat angles P-C4'-P energy: -38.631
tors. eta vs tors. theta energy: -53.737
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: 8
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -533.597740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.597740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.597740 (E_RNA)
where:
Base-Base interactions energy: -290.835
where: short stacking energy: -146.291
Base-Backbone interact. energy: -1.024
local terms energy: -241.739027
where:
bonds (distance) C4'-P energy: -58.663
bonds (distance) P-C4' energy: -70.017
flat angles C4'-P-C4' energy: -56.710
flat angles P-C4'-P energy: -40.043
tors. eta vs tors. theta energy: -16.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -331.772690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.772690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.772690 (E_RNA)
where:
Base-Base interactions energy: -127.477
where: short stacking energy: -104.043
Base-Backbone interact. energy: 2.809
local terms energy: -207.104944
where:
bonds (distance) C4'-P energy: -66.742
bonds (distance) P-C4' energy: -62.664
flat angles C4'-P-C4' energy: -43.456
flat angles P-C4'-P energy: -32.196
tors. eta vs tors. theta energy: -2.047
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: 10, replica: 6
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -298.433796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.433796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.433796 (E_RNA)
where:
Base-Base interactions energy: -111.259
where: short stacking energy: -97.755
Base-Backbone interact. energy: 0.023
local terms energy: -187.198067
where:
bonds (distance) C4'-P energy: -62.925
bonds (distance) P-C4' energy: -48.081
flat angles C4'-P-C4' energy: -59.396
flat angles P-C4'-P energy: -24.135
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: 1, replica: 1
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1263.561672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.561672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.561672 (E_RNA)
where:
Base-Base interactions energy: -863.814
where: short stacking energy: -346.393
Base-Backbone interact. energy: -4.467
local terms energy: -395.280311
where:
bonds (distance) C4'-P energy: -73.295
bonds (distance) P-C4' energy: -81.067
flat angles C4'-P-C4' energy: -81.445
flat angles P-C4'-P energy: -55.679
tors. eta vs tors. theta energy: -103.794
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: 2
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1282.516113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.516113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.516113 (E_RNA)
where:
Base-Base interactions energy: -884.740
where: short stacking energy: -394.314
Base-Backbone interact. energy: -0.559
local terms energy: -397.217715
where:
bonds (distance) C4'-P energy: -70.956
bonds (distance) P-C4' energy: -76.264
flat angles C4'-P-C4' energy: -77.469
flat angles P-C4'-P energy: -53.687
tors. eta vs tors. theta energy: -118.841
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: 9
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1213.910404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.910404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.910404 (E_RNA)
where:
Base-Base interactions energy: -826.657
where: short stacking energy: -356.016
Base-Backbone interact. energy: -0.710
local terms energy: -386.543385
where:
bonds (distance) C4'-P energy: -66.952
bonds (distance) P-C4' energy: -70.390
flat angles C4'-P-C4' energy: -75.758
flat angles P-C4'-P energy: -61.214
tors. eta vs tors. theta energy: -112.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1081.382331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.382331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.382331 (E_RNA)
where:
Base-Base interactions energy: -738.645
where: short stacking energy: -301.720
Base-Backbone interact. energy: 0.519
local terms energy: -343.255802
where:
bonds (distance) C4'-P energy: -66.606
bonds (distance) P-C4' energy: -72.302
flat angles C4'-P-C4' energy: -79.850
flat angles P-C4'-P energy: -47.510
tors. eta vs tors. theta energy: -76.987
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: 273
Temperature: 1.100000
Total energy: -951.143687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.143687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.143687 (E_RNA)
where:
Base-Base interactions energy: -621.558
where: short stacking energy: -256.650
Base-Backbone interact. energy: 1.450
local terms energy: -331.036116
where:
bonds (distance) C4'-P energy: -68.359
bonds (distance) P-C4' energy: -63.088
flat angles C4'-P-C4' energy: -78.031
flat angles P-C4'-P energy: -56.015
tors. eta vs tors. theta energy: -65.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -839.686379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.686379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.686379 (E_RNA)
where:
Base-Base interactions energy: -530.415
where: short stacking energy: -241.729
Base-Backbone interact. energy: -3.024
local terms energy: -306.247294
where:
bonds (distance) C4'-P energy: -58.074
bonds (distance) P-C4' energy: -71.199
flat angles C4'-P-C4' energy: -72.697
flat angles P-C4'-P energy: -44.638
tors. eta vs tors. theta energy: -59.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -758.355076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.355076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.355076 (E_RNA)
where:
Base-Base interactions energy: -489.025
where: short stacking energy: -185.225
Base-Backbone interact. energy: -2.376
local terms energy: -266.953552
where:
bonds (distance) C4'-P energy: -51.775
bonds (distance) P-C4' energy: -68.694
flat angles C4'-P-C4' energy: -71.630
flat angles P-C4'-P energy: -31.582
tors. eta vs tors. theta energy: -43.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -565.440372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.440372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.440372 (E_RNA)
where:
Base-Base interactions energy: -301.857
where: short stacking energy: -166.322
Base-Backbone interact. energy: -0.272
local terms energy: -263.311304
where:
bonds (distance) C4'-P energy: -64.369
bonds (distance) P-C4' energy: -69.501
flat angles C4'-P-C4' energy: -73.659
flat angles P-C4'-P energy: -30.404
tors. eta vs tors. theta energy: -25.378
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: 273
Temperature: 1.300000
Total energy: -326.244463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.244463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.244463 (E_RNA)
where:
Base-Base interactions energy: -122.477
where: short stacking energy: -94.601
Base-Backbone interact. energy: 1.626
local terms energy: -205.393236
where:
bonds (distance) C4'-P energy: -64.091
bonds (distance) P-C4' energy: -65.076
flat angles C4'-P-C4' energy: -54.309
flat angles P-C4'-P energy: -32.422
tors. eta vs tors. theta energy: 10.505
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: 6
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -293.958820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.958820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.958820 (E_RNA)
where:
Base-Base interactions energy: -81.059
where: short stacking energy: -77.012
Base-Backbone interact. energy: -1.024
local terms energy: -211.876590
where:
bonds (distance) C4'-P energy: -53.098
bonds (distance) P-C4' energy: -68.506
flat angles C4'-P-C4' energy: -59.546
flat angles P-C4'-P energy: -36.532
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: 1, replica: 1
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1280.929738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.929738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.929738 (E_RNA)
where:
Base-Base interactions energy: -876.042
where: short stacking energy: -367.812
Base-Backbone interact. energy: -3.524
local terms energy: -401.363631
where:
bonds (distance) C4'-P energy: -68.513
bonds (distance) P-C4' energy: -80.371
flat angles C4'-P-C4' energy: -87.706
flat angles P-C4'-P energy: -51.349
tors. eta vs tors. theta energy: -113.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1255.512469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.512469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.512469 (E_RNA)
where:
Base-Base interactions energy: -859.944
where: short stacking energy: -357.473
Base-Backbone interact. energy: 1.484
local terms energy: -397.051851
where:
bonds (distance) C4'-P energy: -68.609
bonds (distance) P-C4' energy: -74.646
flat angles C4'-P-C4' energy: -84.872
flat angles P-C4'-P energy: -57.589
tors. eta vs tors. theta energy: -111.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1225.085906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.085906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.085906 (E_RNA)
where:
Base-Base interactions energy: -845.414
where: short stacking energy: -358.485
Base-Backbone interact. energy: -1.134
local terms energy: -378.537591
where:
bonds (distance) C4'-P energy: -70.029
bonds (distance) P-C4' energy: -68.992
flat angles C4'-P-C4' energy: -84.983
flat angles P-C4'-P energy: -51.846
tors. eta vs tors. theta energy: -102.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1114.033069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.033069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.033069 (E_RNA)
where:
Base-Base interactions energy: -776.842
where: short stacking energy: -314.924
Base-Backbone interact. energy: -0.181
local terms energy: -337.010132
where:
bonds (distance) C4'-P energy: -68.827
bonds (distance) P-C4' energy: -61.624
flat angles C4'-P-C4' energy: -69.517
flat angles P-C4'-P energy: -49.521
tors. eta vs tors. theta energy: -87.522
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: 274
Temperature: 1.100000
Total energy: -940.172521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.172521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.172521 (E_RNA)
where:
Base-Base interactions energy: -612.697
where: short stacking energy: -265.839
Base-Backbone interact. energy: -1.341
local terms energy: -326.134793
where:
bonds (distance) C4'-P energy: -62.396
bonds (distance) P-C4' energy: -59.800
flat angles C4'-P-C4' energy: -77.585
flat angles P-C4'-P energy: -43.150
tors. eta vs tors. theta energy: -83.204
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: 10
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -835.684573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.684573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.684573 (E_RNA)
where:
Base-Base interactions energy: -526.434
where: short stacking energy: -250.241
Base-Backbone interact. energy: -1.313
local terms energy: -307.937213
where:
bonds (distance) C4'-P energy: -63.308
bonds (distance) P-C4' energy: -68.800
flat angles C4'-P-C4' energy: -66.142
flat angles P-C4'-P energy: -45.957
tors. eta vs tors. theta energy: -63.731
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: 5
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -770.471093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.471093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.471093 (E_RNA)
where:
Base-Base interactions energy: -463.351
where: short stacking energy: -214.510
Base-Backbone interact. energy: -2.579
local terms energy: -304.540973
where:
bonds (distance) C4'-P energy: -73.708
bonds (distance) P-C4' energy: -72.358
flat angles C4'-P-C4' energy: -60.548
flat angles P-C4'-P energy: -38.762
tors. eta vs tors. theta energy: -59.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -524.856424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.856424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.856424 (E_RNA)
where:
Base-Base interactions energy: -296.010
where: short stacking energy: -154.507
Base-Backbone interact. energy: -2.594
local terms energy: -226.252165
where:
bonds (distance) C4'-P energy: -56.661
bonds (distance) P-C4' energy: -70.562
flat angles C4'-P-C4' energy: -58.530
flat angles P-C4'-P energy: -24.474
tors. eta vs tors. theta energy: -16.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -323.173469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.173469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.173469 (E_RNA)
where:
Base-Base interactions energy: -134.199
where: short stacking energy: -102.909
Base-Backbone interact. energy: 1.344
local terms energy: -190.318665
where:
bonds (distance) C4'-P energy: -53.767
bonds (distance) P-C4' energy: -65.342
flat angles C4'-P-C4' energy: -48.047
flat angles P-C4'-P energy: -40.875
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: 10, replica: 4
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -315.384018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.384018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.384018 (E_RNA)
where:
Base-Base interactions energy: -112.409
where: short stacking energy: -93.553
Base-Backbone interact. energy: 0.704
local terms energy: -203.679876
where:
bonds (distance) C4'-P energy: -46.708
bonds (distance) P-C4' energy: -59.180
flat angles C4'-P-C4' energy: -57.769
flat angles P-C4'-P energy: -36.757
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: 1, replica: 1
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1289.779498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.779498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.779498 (E_RNA)
where:
Base-Base interactions energy: -893.198
where: short stacking energy: -370.239
Base-Backbone interact. energy: -3.874
local terms energy: -392.708065
where:
bonds (distance) C4'-P energy: -65.777
bonds (distance) P-C4' energy: -69.497
flat angles C4'-P-C4' energy: -85.320
flat angles P-C4'-P energy: -56.181
tors. eta vs tors. theta energy: -115.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1242.943330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.943330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.943330 (E_RNA)
where:
Base-Base interactions energy: -848.368
where: short stacking energy: -367.529
Base-Backbone interact. energy: 0.190
local terms energy: -394.765138
where:
bonds (distance) C4'-P energy: -70.593
bonds (distance) P-C4' energy: -83.870
flat angles C4'-P-C4' energy: -76.166
flat angles P-C4'-P energy: -55.781
tors. eta vs tors. theta energy: -108.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1248.889952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.889952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.889952 (E_RNA)
where:
Base-Base interactions energy: -873.001
where: short stacking energy: -358.378
Base-Backbone interact. energy: -1.514
local terms energy: -374.374602
where:
bonds (distance) C4'-P energy: -69.844
bonds (distance) P-C4' energy: -63.668
flat angles C4'-P-C4' energy: -85.067
flat angles P-C4'-P energy: -57.518
tors. eta vs tors. theta energy: -98.278
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: 7
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -1107.684953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.684953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.684953 (E_RNA)
where:
Base-Base interactions energy: -764.316
where: short stacking energy: -312.517
Base-Backbone interact. energy: -0.753
local terms energy: -342.616046
where:
bonds (distance) C4'-P energy: -69.959
bonds (distance) P-C4' energy: -67.625
flat angles C4'-P-C4' energy: -74.205
flat angles P-C4'-P energy: -44.662
tors. eta vs tors. theta energy: -86.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -942.309886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.309886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.309886 (E_RNA)
where:
Base-Base interactions energy: -606.571
where: short stacking energy: -281.304
Base-Backbone interact. energy: -1.440
local terms energy: -334.298996
where:
bonds (distance) C4'-P energy: -64.359
bonds (distance) P-C4' energy: -67.931
flat angles C4'-P-C4' energy: -78.185
flat angles P-C4'-P energy: -44.788
tors. eta vs tors. theta energy: -79.036
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: 10
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -831.205747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.205747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.205747 (E_RNA)
where:
Base-Base interactions energy: -535.486
where: short stacking energy: -243.033
Base-Backbone interact. energy: -1.594
local terms energy: -294.125448
where:
bonds (distance) C4'-P energy: -70.609
bonds (distance) P-C4' energy: -58.034
flat angles C4'-P-C4' energy: -58.828
flat angles P-C4'-P energy: -44.012
tors. eta vs tors. theta energy: -62.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -775.934093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.934093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.934093 (E_RNA)
where:
Base-Base interactions energy: -482.830
where: short stacking energy: -198.781
Base-Backbone interact. energy: 0.203
local terms energy: -293.307751
where:
bonds (distance) C4'-P energy: -61.339
bonds (distance) P-C4' energy: -60.992
flat angles C4'-P-C4' energy: -69.729
flat angles P-C4'-P energy: -49.021
tors. eta vs tors. theta energy: -52.226
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: 8
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -495.886338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.886338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.886338 (E_RNA)
where:
Base-Base interactions energy: -238.716
where: short stacking energy: -127.019
Base-Backbone interact. energy: -2.061
local terms energy: -255.108614
where:
bonds (distance) C4'-P energy: -70.700
bonds (distance) P-C4' energy: -58.800
flat angles C4'-P-C4' energy: -62.874
flat angles P-C4'-P energy: -46.977
tors. eta vs tors. theta energy: -15.757
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: 6
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -346.505062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.505062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.505062 (E_RNA)
where:
Base-Base interactions energy: -137.913
where: short stacking energy: -92.124
Base-Backbone interact. energy: 0.306
local terms energy: -208.898103
where:
bonds (distance) C4'-P energy: -65.137
bonds (distance) P-C4' energy: -67.034
flat angles C4'-P-C4' energy: -52.345
flat angles P-C4'-P energy: -34.321
tors. eta vs tors. theta energy: 9.939
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: 4
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -285.269244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.269244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.269244 (E_RNA)
where:
Base-Base interactions energy: -70.705
where: short stacking energy: -64.938
Base-Backbone interact. energy: -1.287
local terms energy: -213.276992
where:
bonds (distance) C4'-P energy: -78.501
bonds (distance) P-C4' energy: -63.042
flat angles C4'-P-C4' energy: -49.936
flat angles P-C4'-P energy: -25.826
tors. eta vs tors. theta energy: 4.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1268.591757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.591757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.591757 (E_RNA)
where:
Base-Base interactions energy: -859.121
where: short stacking energy: -362.483
Base-Backbone interact. energy: -1.105
local terms energy: -408.365525
where:
bonds (distance) C4'-P energy: -77.808
bonds (distance) P-C4' energy: -74.250
flat angles C4'-P-C4' energy: -89.348
flat angles P-C4'-P energy: -57.793
tors. eta vs tors. theta energy: -109.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1227.460583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.460583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.460583 (E_RNA)
where:
Base-Base interactions energy: -831.685
where: short stacking energy: -354.571
Base-Backbone interact. energy: -0.778
local terms energy: -394.997578
where:
bonds (distance) C4'-P energy: -69.075
bonds (distance) P-C4' energy: -74.274
flat angles C4'-P-C4' energy: -81.248
flat angles P-C4'-P energy: -57.747
tors. eta vs tors. theta energy: -112.655
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: 2
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1231.498040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.498040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.498040 (E_RNA)
where:
Base-Base interactions energy: -865.418
where: short stacking energy: -369.338
Base-Backbone interact. energy: -2.306
local terms energy: -363.774099
where:
bonds (distance) C4'-P energy: -62.806
bonds (distance) P-C4' energy: -65.781
flat angles C4'-P-C4' energy: -71.677
flat angles P-C4'-P energy: -51.808
tors. eta vs tors. theta energy: -111.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1104.298522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.298522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.298522 (E_RNA)
where:
Base-Base interactions energy: -758.750
where: short stacking energy: -301.707
Base-Backbone interact. energy: -1.916
local terms energy: -343.632796
where:
bonds (distance) C4'-P energy: -66.880
bonds (distance) P-C4' energy: -68.224
flat angles C4'-P-C4' energy: -74.289
flat angles P-C4'-P energy: -49.896
tors. eta vs tors. theta energy: -84.345
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: 3
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -960.166377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.166377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.166377 (E_RNA)
where:
Base-Base interactions energy: -618.342
where: short stacking energy: -278.760
Base-Backbone interact. energy: -2.780
local terms energy: -339.044346
where:
bonds (distance) C4'-P energy: -58.149
bonds (distance) P-C4' energy: -70.609
flat angles C4'-P-C4' energy: -77.885
flat angles P-C4'-P energy: -52.626
tors. eta vs tors. theta energy: -79.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -828.240653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.240653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.240653 (E_RNA)
where:
Base-Base interactions energy: -527.980
where: short stacking energy: -226.512
Base-Backbone interact. energy: -1.931
local terms energy: -298.329855
where:
bonds (distance) C4'-P energy: -70.147
bonds (distance) P-C4' energy: -61.399
flat angles C4'-P-C4' energy: -67.663
flat angles P-C4'-P energy: -51.186
tors. eta vs tors. theta energy: -47.934
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: 5
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -746.136344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.136344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.136344 (E_RNA)
where:
Base-Base interactions energy: -491.460
where: short stacking energy: -215.098
Base-Backbone interact. energy: 2.683
local terms energy: -257.358613
where:
bonds (distance) C4'-P energy: -55.858
bonds (distance) P-C4' energy: -64.012
flat angles C4'-P-C4' energy: -66.291
flat angles P-C4'-P energy: -25.395
tors. eta vs tors. theta energy: -45.802
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: 8
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -504.688892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.688892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.688892 (E_RNA)
where:
Base-Base interactions energy: -278.646
where: short stacking energy: -140.797
Base-Backbone interact. energy: -1.498
local terms energy: -224.543937
where:
bonds (distance) C4'-P energy: -51.234
bonds (distance) P-C4' energy: -69.373
flat angles C4'-P-C4' energy: -68.107
flat angles P-C4'-P energy: -33.990
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: 9, replica: 4
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -301.726821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.726821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.726821 (E_RNA)
where:
Base-Base interactions energy: -80.087
where: short stacking energy: -74.326
Base-Backbone interact. energy: 0.380
local terms energy: -222.019709
where:
bonds (distance) C4'-P energy: -69.032
bonds (distance) P-C4' energy: -80.510
flat angles C4'-P-C4' energy: -52.244
flat angles P-C4'-P energy: -32.531
tors. eta vs tors. theta energy: 12.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -296.954572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.954572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.954572 (E_RNA)
where:
Base-Base interactions energy: -84.092
where: short stacking energy: -70.255
Base-Backbone interact. energy: -1.157
local terms energy: -211.705373
where:
bonds (distance) C4'-P energy: -52.083
bonds (distance) P-C4' energy: -72.660
flat angles C4'-P-C4' energy: -58.835
flat angles P-C4'-P energy: -37.580
tors. eta vs tors. theta energy: 9.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1274.876084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.876084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.876084 (E_RNA)
where:
Base-Base interactions energy: -884.425
where: short stacking energy: -379.616
Base-Backbone interact. energy: -3.420
local terms energy: -387.031217
where:
bonds (distance) C4'-P energy: -73.406
bonds (distance) P-C4' energy: -65.883
flat angles C4'-P-C4' energy: -73.326
flat angles P-C4'-P energy: -58.819
tors. eta vs tors. theta energy: -115.597
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: 9
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1243.363109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.363109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.363109 (E_RNA)
where:
Base-Base interactions energy: -846.901
where: short stacking energy: -373.090
Base-Backbone interact. energy: -2.439
local terms energy: -394.023546
where:
bonds (distance) C4'-P energy: -66.666
bonds (distance) P-C4' energy: -67.287
flat angles C4'-P-C4' energy: -82.204
flat angles P-C4'-P energy: -63.543
tors. eta vs tors. theta energy: -114.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1253.463485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.463485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.463485 (E_RNA)
where:
Base-Base interactions energy: -860.504
where: short stacking energy: -355.676
Base-Backbone interact. energy: -0.992
local terms energy: -391.967407
where:
bonds (distance) C4'-P energy: -56.790
bonds (distance) P-C4' energy: -82.487
flat angles C4'-P-C4' energy: -79.313
flat angles P-C4'-P energy: -56.725
tors. eta vs tors. theta energy: -116.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1093.137500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.137500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.137500 (E_RNA)
where:
Base-Base interactions energy: -757.124
where: short stacking energy: -294.555
Base-Backbone interact. energy: 3.720
local terms energy: -339.733329
where:
bonds (distance) C4'-P energy: -68.949
bonds (distance) P-C4' energy: -76.367
flat angles C4'-P-C4' energy: -69.941
flat angles P-C4'-P energy: -41.726
tors. eta vs tors. theta energy: -82.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -908.740088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.740088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.740088 (E_RNA)
where:
Base-Base interactions energy: -580.306
where: short stacking energy: -259.404
Base-Backbone interact. energy: -0.645
local terms energy: -327.788746
where:
bonds (distance) C4'-P energy: -82.553
bonds (distance) P-C4' energy: -71.425
flat angles C4'-P-C4' energy: -75.188
flat angles P-C4'-P energy: -41.306
tors. eta vs tors. theta energy: -57.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -836.452703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.452703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.452703 (E_RNA)
where:
Base-Base interactions energy: -519.905
where: short stacking energy: -249.575
Base-Backbone interact. energy: -2.147
local terms energy: -314.400390
where:
bonds (distance) C4'-P energy: -63.452
bonds (distance) P-C4' energy: -71.838
flat angles C4'-P-C4' energy: -73.710
flat angles P-C4'-P energy: -44.587
tors. eta vs tors. theta energy: -60.812
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: 5
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -732.057242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.057242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.057242 (E_RNA)
where:
Base-Base interactions energy: -456.607
where: short stacking energy: -212.190
Base-Backbone interact. energy: 2.989
local terms energy: -278.439125
where:
bonds (distance) C4'-P energy: -73.881
bonds (distance) P-C4' energy: -61.999
flat angles C4'-P-C4' energy: -52.423
flat angles P-C4'-P energy: -36.498
tors. eta vs tors. theta energy: -53.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -569.072172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.072172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.072172 (E_RNA)
where:
Base-Base interactions energy: -348.487
where: short stacking energy: -144.722
Base-Backbone interact. energy: -0.051
local terms energy: -220.533917
where:
bonds (distance) C4'-P energy: -55.069
bonds (distance) P-C4' energy: -57.332
flat angles C4'-P-C4' energy: -55.523
flat angles P-C4'-P energy: -36.577
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: 9, replica: 4
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -344.350858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.350858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.350858 (E_RNA)
where:
Base-Base interactions energy: -132.801
where: short stacking energy: -96.721
Base-Backbone interact. energy: 0.221
local terms energy: -211.771065
where:
bonds (distance) C4'-P energy: -67.656
bonds (distance) P-C4' energy: -53.149
flat angles C4'-P-C4' energy: -66.674
flat angles P-C4'-P energy: -25.277
tors. eta vs tors. theta energy: 0.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -318.671668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.671668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.671668 (E_RNA)
where:
Base-Base interactions energy: -102.165
where: short stacking energy: -89.160
Base-Backbone interact. energy: -0.824
local terms energy: -215.682565
where:
bonds (distance) C4'-P energy: -64.221
bonds (distance) P-C4' energy: -64.369
flat angles C4'-P-C4' energy: -57.297
flat angles P-C4'-P energy: -36.315
tors. eta vs tors. theta energy: 6.520
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: 278
Temperature: 0.900000
Total energy: -1279.603672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.603672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.603672 (E_RNA)
where:
Base-Base interactions energy: -886.053
where: short stacking energy: -390.074
Base-Backbone interact. energy: 0.395
local terms energy: -393.945561
where:
bonds (distance) C4'-P energy: -76.126
bonds (distance) P-C4' energy: -64.692
flat angles C4'-P-C4' energy: -86.552
flat angles P-C4'-P energy: -50.500
tors. eta vs tors. theta energy: -116.076
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: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1236.780832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.780832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.780832 (E_RNA)
where:
Base-Base interactions energy: -845.337
where: short stacking energy: -369.249
Base-Backbone interact. energy: -3.505
local terms energy: -387.938530
where:
bonds (distance) C4'-P energy: -64.525
bonds (distance) P-C4' energy: -78.621
flat angles C4'-P-C4' energy: -77.076
flat angles P-C4'-P energy: -48.931
tors. eta vs tors. theta energy: -118.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -1257.597711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.597711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.597711 (E_RNA)
where:
Base-Base interactions energy: -860.844
where: short stacking energy: -366.361
Base-Backbone interact. energy: 0.252
local terms energy: -397.005857
where:
bonds (distance) C4'-P energy: -70.194
bonds (distance) P-C4' energy: -73.894
flat angles C4'-P-C4' energy: -83.902
flat angles P-C4'-P energy: -51.908
tors. eta vs tors. theta energy: -117.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1090.144496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.144496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.144496 (E_RNA)
where:
Base-Base interactions energy: -745.381
where: short stacking energy: -301.877
Base-Backbone interact. energy: -1.847
local terms energy: -342.916801
where:
bonds (distance) C4'-P energy: -63.280
bonds (distance) P-C4' energy: -71.908
flat angles C4'-P-C4' energy: -79.288
flat angles P-C4'-P energy: -48.424
tors. eta vs tors. theta energy: -80.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -903.730635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.730635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.730635 (E_RNA)
where:
Base-Base interactions energy: -585.247
where: short stacking energy: -247.687
Base-Backbone interact. energy: -1.175
local terms energy: -317.309025
where:
bonds (distance) C4'-P energy: -66.042
bonds (distance) P-C4' energy: -84.278
flat angles C4'-P-C4' energy: -65.377
flat angles P-C4'-P energy: -39.993
tors. eta vs tors. theta energy: -61.620
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: 10
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -873.179789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.179789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.179789 (E_RNA)
where:
Base-Base interactions energy: -562.188
where: short stacking energy: -255.385
Base-Backbone interact. energy: -0.934
local terms energy: -310.057281
where:
bonds (distance) C4'-P energy: -67.274
bonds (distance) P-C4' energy: -61.766
flat angles C4'-P-C4' energy: -68.496
flat angles P-C4'-P energy: -45.351
tors. eta vs tors. theta energy: -67.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -639.496764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.496764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.496764 (E_RNA)
where:
Base-Base interactions energy: -363.359
where: short stacking energy: -185.719
Base-Backbone interact. energy: -3.362
local terms energy: -272.775739
where:
bonds (distance) C4'-P energy: -55.758
bonds (distance) P-C4' energy: -79.396
flat angles C4'-P-C4' energy: -51.688
flat angles P-C4'-P energy: -41.294
tors. eta vs tors. theta energy: -44.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -552.296334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.296334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.296334 (E_RNA)
where:
Base-Base interactions energy: -318.017
where: short stacking energy: -158.903
Base-Backbone interact. energy: -1.389
local terms energy: -232.890452
where:
bonds (distance) C4'-P energy: -51.889
bonds (distance) P-C4' energy: -73.086
flat angles C4'-P-C4' energy: -66.920
flat angles P-C4'-P energy: -32.276
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: 9, replica: 4
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -347.007969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.007969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.007969 (E_RNA)
where:
Base-Base interactions energy: -124.847
where: short stacking energy: -114.719
Base-Backbone interact. energy: -0.022
local terms energy: -222.138858
where:
bonds (distance) C4'-P energy: -51.571
bonds (distance) P-C4' energy: -67.005
flat angles C4'-P-C4' energy: -52.190
flat angles P-C4'-P energy: -42.094
tors. eta vs tors. theta energy: -9.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -304.984118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.984118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.984118 (E_RNA)
where:
Base-Base interactions energy: -83.772
where: short stacking energy: -82.700
Base-Backbone interact. energy: -0.882
local terms energy: -220.330487
where:
bonds (distance) C4'-P energy: -65.266
bonds (distance) P-C4' energy: -76.004
flat angles C4'-P-C4' energy: -50.155
flat angles P-C4'-P energy: -40.221
tors. eta vs tors. theta energy: 11.315
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: 9
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1288.761667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.761667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.761667 (E_RNA)
where:
Base-Base interactions energy: -882.687
where: short stacking energy: -372.739
Base-Backbone interact. energy: -1.390
local terms energy: -404.684701
where:
bonds (distance) C4'-P energy: -71.497
bonds (distance) P-C4' energy: -72.659
flat angles C4'-P-C4' energy: -82.681
flat angles P-C4'-P energy: -63.337
tors. eta vs tors. theta energy: -114.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1282.296785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.296785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.296785 (E_RNA)
where:
Base-Base interactions energy: -902.726
where: short stacking energy: -383.837
Base-Backbone interact. energy: 1.919
local terms energy: -381.489816
where:
bonds (distance) C4'-P energy: -64.936
bonds (distance) P-C4' energy: -72.705
flat angles C4'-P-C4' energy: -81.461
flat angles P-C4'-P energy: -47.908
tors. eta vs tors. theta energy: -114.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1204.558240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.558240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.558240 (E_RNA)
where:
Base-Base interactions energy: -810.095
where: short stacking energy: -366.681
Base-Backbone interact. energy: 0.298
local terms energy: -394.761253
where:
bonds (distance) C4'-P energy: -64.247
bonds (distance) P-C4' energy: -77.573
flat angles C4'-P-C4' energy: -85.992
flat angles P-C4'-P energy: -51.302
tors. eta vs tors. theta energy: -115.648
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: 7
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1108.692116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.692116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.692116 (E_RNA)
where:
Base-Base interactions energy: -743.585
where: short stacking energy: -320.052
Base-Backbone interact. energy: 0.858
local terms energy: -365.964846
where:
bonds (distance) C4'-P energy: -81.387
bonds (distance) P-C4' energy: -64.381
flat angles C4'-P-C4' energy: -77.933
flat angles P-C4'-P energy: -52.625
tors. eta vs tors. theta energy: -89.639
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: 3
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -919.455319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.455319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.455319 (E_RNA)
where:
Base-Base interactions energy: -606.003
where: short stacking energy: -245.849
Base-Backbone interact. energy: 3.075
local terms energy: -316.527101
where:
bonds (distance) C4'-P energy: -67.116
bonds (distance) P-C4' energy: -66.135
flat angles C4'-P-C4' energy: -63.029
flat angles P-C4'-P energy: -48.767
tors. eta vs tors. theta energy: -71.481
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: 10
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -902.382471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.382471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.382471 (E_RNA)
where:
Base-Base interactions energy: -573.129
where: short stacking energy: -265.983
Base-Backbone interact. energy: -1.088
local terms energy: -328.164942
where:
bonds (distance) C4'-P energy: -67.017
bonds (distance) P-C4' energy: -71.527
flat angles C4'-P-C4' energy: -71.471
flat angles P-C4'-P energy: -48.480
tors. eta vs tors. theta energy: -69.670
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: 279
Temperature: 1.200000
Total energy: -625.353173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.353173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.353173 (E_RNA)
where:
Base-Base interactions energy: -375.252
where: short stacking energy: -173.308
Base-Backbone interact. energy: 7.413
local terms energy: -257.513674
where:
bonds (distance) C4'-P energy: -62.894
bonds (distance) P-C4' energy: -47.738
flat angles C4'-P-C4' energy: -66.159
flat angles P-C4'-P energy: -47.214
tors. eta vs tors. theta energy: -33.509
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: 8
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -537.132269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.132269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.132269 (E_RNA)
where:
Base-Base interactions energy: -267.978
where: short stacking energy: -143.712
Base-Backbone interact. energy: -0.564
local terms energy: -268.590537
where:
bonds (distance) C4'-P energy: -66.155
bonds (distance) P-C4' energy: -71.298
flat angles C4'-P-C4' energy: -68.251
flat angles P-C4'-P energy: -41.280
tors. eta vs tors. theta energy: -21.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -347.991240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.991240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.991240 (E_RNA)
where:
Base-Base interactions energy: -119.877
where: short stacking energy: -101.284
Base-Backbone interact. energy: 1.766
local terms energy: -229.879853
where:
bonds (distance) C4'-P energy: -56.405
bonds (distance) P-C4' energy: -69.866
flat angles C4'-P-C4' energy: -56.684
flat angles P-C4'-P energy: -40.180
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: 6
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -288.917234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.917234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.917234 (E_RNA)
where:
Base-Base interactions energy: -90.226
where: short stacking energy: -78.694
Base-Backbone interact. energy: 0.402
local terms energy: -199.093153
where:
bonds (distance) C4'-P energy: -58.109
bonds (distance) P-C4' energy: -62.126
flat angles C4'-P-C4' energy: -49.522
flat angles P-C4'-P energy: -33.866
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: 1, replica: 2
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1313.335480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.335480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.335480 (E_RNA)
where:
Base-Base interactions energy: -919.077
where: short stacking energy: -402.890
Base-Backbone interact. energy: -1.082
local terms energy: -393.175715
where:
bonds (distance) C4'-P energy: -65.635
bonds (distance) P-C4' energy: -68.546
flat angles C4'-P-C4' energy: -84.152
flat angles P-C4'-P energy: -60.660
tors. eta vs tors. theta energy: -114.183
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: 9
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1255.940340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.940340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.940340 (E_RNA)
where:
Base-Base interactions energy: -860.356
where: short stacking energy: -368.473
Base-Backbone interact. energy: 0.539
local terms energy: -396.123529
where:
bonds (distance) C4'-P energy: -74.869
bonds (distance) P-C4' energy: -71.728
flat angles C4'-P-C4' energy: -85.435
flat angles P-C4'-P energy: -53.225
tors. eta vs tors. theta energy: -110.867
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: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1193.899147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.899147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.899147 (E_RNA)
where:
Base-Base interactions energy: -813.432
where: short stacking energy: -365.825
Base-Backbone interact. energy: -1.656
local terms energy: -378.811480
where:
bonds (distance) C4'-P energy: -81.033
bonds (distance) P-C4' energy: -64.116
flat angles C4'-P-C4' energy: -77.886
flat angles P-C4'-P energy: -52.011
tors. eta vs tors. theta energy: -103.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1105.611851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.611851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.611851 (E_RNA)
where:
Base-Base interactions energy: -749.806
where: short stacking energy: -300.386
Base-Backbone interact. energy: 0.139
local terms energy: -355.944427
where:
bonds (distance) C4'-P energy: -67.237
bonds (distance) P-C4' energy: -75.280
flat angles C4'-P-C4' energy: -74.943
flat angles P-C4'-P energy: -58.088
tors. eta vs tors. theta energy: -80.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -940.110229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.110229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.110229 (E_RNA)
where:
Base-Base interactions energy: -630.222
where: short stacking energy: -266.407
Base-Backbone interact. energy: 0.211
local terms energy: -310.098804
where:
bonds (distance) C4'-P energy: -66.907
bonds (distance) P-C4' energy: -54.809
flat angles C4'-P-C4' energy: -66.371
flat angles P-C4'-P energy: -51.475
tors. eta vs tors. theta energy: -70.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -904.681304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.681304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.681304 (E_RNA)
where:
Base-Base interactions energy: -591.517
where: short stacking energy: -263.936
Base-Backbone interact. energy: 1.357
local terms energy: -314.520574
where:
bonds (distance) C4'-P energy: -56.532
bonds (distance) P-C4' energy: -67.566
flat angles C4'-P-C4' energy: -66.731
flat angles P-C4'-P energy: -52.966
tors. eta vs tors. theta energy: -70.726
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: 5
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -651.620779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.620779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.620779 (E_RNA)
where:
Base-Base interactions energy: -397.290
where: short stacking energy: -170.810
Base-Backbone interact. energy: -1.370
local terms energy: -252.960318
where:
bonds (distance) C4'-P energy: -55.242
bonds (distance) P-C4' energy: -63.044
flat angles C4'-P-C4' energy: -70.769
flat angles P-C4'-P energy: -44.607
tors. eta vs tors. theta energy: -19.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -562.519417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.519417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.519417 (E_RNA)
where:
Base-Base interactions energy: -303.350
where: short stacking energy: -134.075
Base-Backbone interact. energy: -0.118
local terms energy: -259.051370
where:
bonds (distance) C4'-P energy: -73.944
bonds (distance) P-C4' energy: -73.126
flat angles C4'-P-C4' energy: -45.521
flat angles P-C4'-P energy: -48.827
tors. eta vs tors. theta energy: -17.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -320.613241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.613241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.613241 (E_RNA)
where:
Base-Base interactions energy: -116.221
where: short stacking energy: -99.044
Base-Backbone interact. energy: 3.211
local terms energy: -207.603813
where:
bonds (distance) C4'-P energy: -61.232
bonds (distance) P-C4' energy: -65.920
flat angles C4'-P-C4' energy: -51.400
flat angles P-C4'-P energy: -22.479
tors. eta vs tors. theta energy: -6.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -288.507824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.507824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.507824 (E_RNA)
where:
Base-Base interactions energy: -88.666
where: short stacking energy: -73.422
Base-Backbone interact. energy: -0.963
local terms energy: -198.879335
where:
bonds (distance) C4'-P energy: -57.864
bonds (distance) P-C4' energy: -61.172
flat angles C4'-P-C4' energy: -57.240
flat angles P-C4'-P energy: -27.438
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: 2
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1302.032711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.032711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.032711 (E_RNA)
where:
Base-Base interactions energy: -887.784
where: short stacking energy: -375.861
Base-Backbone interact. energy: -0.949
local terms energy: -413.299665
where:
bonds (distance) C4'-P energy: -77.897
bonds (distance) P-C4' energy: -80.196
flat angles C4'-P-C4' energy: -86.126
flat angles P-C4'-P energy: -51.054
tors. eta vs tors. theta energy: -118.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1256.085694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.085694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.085694 (E_RNA)
where:
Base-Base interactions energy: -859.357
where: short stacking energy: -384.956
Base-Backbone interact. energy: -0.600
local terms energy: -396.128915
where:
bonds (distance) C4'-P energy: -68.807
bonds (distance) P-C4' energy: -76.437
flat angles C4'-P-C4' energy: -75.345
flat angles P-C4'-P energy: -57.150
tors. eta vs tors. theta energy: -118.390
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: 3, replica: 1
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -1162.088504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.088504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.088504 (E_RNA)
where:
Base-Base interactions energy: -789.427
where: short stacking energy: -335.141
Base-Backbone interact. energy: -3.091
local terms energy: -369.570647
where:
bonds (distance) C4'-P energy: -67.588
bonds (distance) P-C4' energy: -62.382
flat angles C4'-P-C4' energy: -75.967
flat angles P-C4'-P energy: -56.352
tors. eta vs tors. theta energy: -107.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1099.948538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.948538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.948538 (E_RNA)
where:
Base-Base interactions energy: -745.863
where: short stacking energy: -312.094
Base-Backbone interact. energy: -2.268
local terms energy: -351.817441
where:
bonds (distance) C4'-P energy: -75.937
bonds (distance) P-C4' energy: -63.408
flat angles C4'-P-C4' energy: -77.757
flat angles P-C4'-P energy: -48.510
tors. eta vs tors. theta energy: -86.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -953.484578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.484578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.484578 (E_RNA)
where:
Base-Base interactions energy: -619.766
where: short stacking energy: -273.955
Base-Backbone interact. energy: 0.215
local terms energy: -333.933326
where:
bonds (distance) C4'-P energy: -68.568
bonds (distance) P-C4' energy: -70.762
flat angles C4'-P-C4' energy: -70.663
flat angles P-C4'-P energy: -36.928
tors. eta vs tors. theta energy: -87.012
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: 281
Temperature: 1.150000
Total energy: -885.142593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.142593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.142593 (E_RNA)
where:
Base-Base interactions energy: -573.436
where: short stacking energy: -270.895
Base-Backbone interact. energy: -1.399
local terms energy: -310.307801
where:
bonds (distance) C4'-P energy: -50.799
bonds (distance) P-C4' energy: -72.164
flat angles C4'-P-C4' energy: -74.593
flat angles P-C4'-P energy: -43.211
tors. eta vs tors. theta energy: -69.541
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: 5
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -655.635436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.635436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.635436 (E_RNA)
where:
Base-Base interactions energy: -388.221
where: short stacking energy: -180.831
Base-Backbone interact. energy: -3.193
local terms energy: -264.221490
where:
bonds (distance) C4'-P energy: -66.051
bonds (distance) P-C4' energy: -65.982
flat angles C4'-P-C4' energy: -57.936
flat angles P-C4'-P energy: -43.447
tors. eta vs tors. theta energy: -30.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -555.050621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.050621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.050621 (E_RNA)
where:
Base-Base interactions energy: -325.155
where: short stacking energy: -140.059
Base-Backbone interact. energy: 0.083
local terms energy: -229.978270
where:
bonds (distance) C4'-P energy: -62.955
bonds (distance) P-C4' energy: -59.621
flat angles C4'-P-C4' energy: -61.930
flat angles P-C4'-P energy: -40.252
tors. eta vs tors. theta energy: -5.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -308.803777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.803777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.803777 (E_RNA)
where:
Base-Base interactions energy: -90.890
where: short stacking energy: -79.427
Base-Backbone interact. energy: -0.145
local terms energy: -217.769475
where:
bonds (distance) C4'-P energy: -48.856
bonds (distance) P-C4' energy: -81.267
flat angles C4'-P-C4' energy: -57.256
flat angles P-C4'-P energy: -42.777
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: 10, replica: 4
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -357.637273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.637273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.637273 (E_RNA)
where:
Base-Base interactions energy: -154.071
where: short stacking energy: -89.893
Base-Backbone interact. energy: -1.551
local terms energy: -202.015151
where:
bonds (distance) C4'-P energy: -54.549
bonds (distance) P-C4' energy: -76.076
flat angles C4'-P-C4' energy: -56.615
flat angles P-C4'-P energy: -30.632
tors. eta vs tors. theta energy: 15.856
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: 282
Temperature: 0.900000
Total energy: -1316.367474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.367474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.367474 (E_RNA)
where:
Base-Base interactions energy: -933.000
where: short stacking energy: -387.805
Base-Backbone interact. energy: 0.700
local terms energy: -384.066853
where:
bonds (distance) C4'-P energy: -69.700
bonds (distance) P-C4' energy: -65.121
flat angles C4'-P-C4' energy: -81.681
flat angles P-C4'-P energy: -50.661
tors. eta vs tors. theta energy: -116.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1248.878552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.878552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.878552 (E_RNA)
where:
Base-Base interactions energy: -853.778
where: short stacking energy: -375.852
Base-Backbone interact. energy: -0.281
local terms energy: -394.819402
where:
bonds (distance) C4'-P energy: -74.081
bonds (distance) P-C4' energy: -61.514
flat angles C4'-P-C4' energy: -81.702
flat angles P-C4'-P energy: -55.877
tors. eta vs tors. theta energy: -121.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1186.762385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.762385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.762385 (E_RNA)
where:
Base-Base interactions energy: -815.872
where: short stacking energy: -328.823
Base-Backbone interact. energy: 1.657
local terms energy: -372.546995
where:
bonds (distance) C4'-P energy: -71.621
bonds (distance) P-C4' energy: -70.140
flat angles C4'-P-C4' energy: -78.456
flat angles P-C4'-P energy: -47.279
tors. eta vs tors. theta energy: -105.052
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: 4, replica: 7
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1115.777057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.777057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.777057 (E_RNA)
where:
Base-Base interactions energy: -758.606
where: short stacking energy: -311.269
Base-Backbone interact. energy: -1.464
local terms energy: -355.706358
where:
bonds (distance) C4'-P energy: -68.071
bonds (distance) P-C4' energy: -76.215
flat angles C4'-P-C4' energy: -77.911
flat angles P-C4'-P energy: -42.265
tors. eta vs tors. theta energy: -91.244
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: 3
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -932.122493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.122493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.122493 (E_RNA)
where:
Base-Base interactions energy: -613.985
where: short stacking energy: -280.803
Base-Backbone interact. energy: -0.597
local terms energy: -317.540639
where:
bonds (distance) C4'-P energy: -58.309
bonds (distance) P-C4' energy: -65.592
flat angles C4'-P-C4' energy: -66.447
flat angles P-C4'-P energy: -55.646
tors. eta vs tors. theta energy: -71.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -844.387902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.387902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.387902 (E_RNA)
where:
Base-Base interactions energy: -529.519
where: short stacking energy: -236.384
Base-Backbone interact. energy: -1.445
local terms energy: -313.424196
where:
bonds (distance) C4'-P energy: -69.259
bonds (distance) P-C4' energy: -59.726
flat angles C4'-P-C4' energy: -70.367
flat angles P-C4'-P energy: -47.422
tors. eta vs tors. theta energy: -66.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -656.635648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.635648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.635648 (E_RNA)
where:
Base-Base interactions energy: -377.169
where: short stacking energy: -209.158
Base-Backbone interact. energy: -0.993
local terms energy: -278.473651
where:
bonds (distance) C4'-P energy: -51.300
bonds (distance) P-C4' energy: -67.249
flat angles C4'-P-C4' energy: -75.489
flat angles P-C4'-P energy: -34.268
tors. eta vs tors. theta energy: -50.168
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: 8
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -566.196997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.196997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.196997 (E_RNA)
where:
Base-Base interactions energy: -319.474
where: short stacking energy: -143.423
Base-Backbone interact. energy: -0.943
local terms energy: -245.780084
where:
bonds (distance) C4'-P energy: -61.656
bonds (distance) P-C4' energy: -64.016
flat angles C4'-P-C4' energy: -66.851
flat angles P-C4'-P energy: -43.000
tors. eta vs tors. theta energy: -10.257
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: 4
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -390.855946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.855946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.855946 (E_RNA)
where:
Base-Base interactions energy: -180.120
where: short stacking energy: -99.994
Base-Backbone interact. energy: 0.322
local terms energy: -211.057564
where:
bonds (distance) C4'-P energy: -52.814
bonds (distance) P-C4' energy: -65.009
flat angles C4'-P-C4' energy: -60.302
flat angles P-C4'-P energy: -21.790
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: 10, replica: 6
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -325.522505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.522505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.522505 (E_RNA)
where:
Base-Base interactions energy: -128.813
where: short stacking energy: -75.335
Base-Backbone interact. energy: -3.465
local terms energy: -193.244370
where:
bonds (distance) C4'-P energy: -57.905
bonds (distance) P-C4' energy: -71.548
flat angles C4'-P-C4' energy: -56.761
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: 7.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1354.516504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.516504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.516504 (E_RNA)
where:
Base-Base interactions energy: -944.498
where: short stacking energy: -405.117
Base-Backbone interact. energy: -1.848
local terms energy: -408.170952
where:
bonds (distance) C4'-P energy: -63.909
bonds (distance) P-C4' energy: -83.487
flat angles C4'-P-C4' energy: -90.088
flat angles P-C4'-P energy: -48.630
tors. eta vs tors. theta energy: -122.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1227.843282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.843282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.843282 (E_RNA)
where:
Base-Base interactions energy: -830.242
where: short stacking energy: -345.349
Base-Backbone interact. energy: -3.541
local terms energy: -394.060561
where:
bonds (distance) C4'-P energy: -69.116
bonds (distance) P-C4' energy: -78.171
flat angles C4'-P-C4' energy: -81.872
flat angles P-C4'-P energy: -57.727
tors. eta vs tors. theta energy: -107.174
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: 9
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1229.979409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.979409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.979409 (E_RNA)
where:
Base-Base interactions energy: -841.017
where: short stacking energy: -363.855
Base-Backbone interact. energy: -1.746
local terms energy: -387.216563
where:
bonds (distance) C4'-P energy: -74.572
bonds (distance) P-C4' energy: -73.648
flat angles C4'-P-C4' energy: -78.911
flat angles P-C4'-P energy: -53.031
tors. eta vs tors. theta energy: -107.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1107.993018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.993018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.993018 (E_RNA)
where:
Base-Base interactions energy: -771.687
where: short stacking energy: -292.725
Base-Backbone interact. energy: -1.501
local terms energy: -334.804583
where:
bonds (distance) C4'-P energy: -60.265
bonds (distance) P-C4' energy: -74.031
flat angles C4'-P-C4' energy: -76.229
flat angles P-C4'-P energy: -46.178
tors. eta vs tors. theta energy: -78.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -929.089938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.089938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.089938 (E_RNA)
where:
Base-Base interactions energy: -593.555
where: short stacking energy: -262.591
Base-Backbone interact. energy: -2.401
local terms energy: -333.134376
where:
bonds (distance) C4'-P energy: -74.123
bonds (distance) P-C4' energy: -70.361
flat angles C4'-P-C4' energy: -69.725
flat angles P-C4'-P energy: -48.666
tors. eta vs tors. theta energy: -70.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -844.973893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.973893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.973893 (E_RNA)
where:
Base-Base interactions energy: -536.891
where: short stacking energy: -244.576
Base-Backbone interact. energy: -0.596
local terms energy: -307.487758
where:
bonds (distance) C4'-P energy: -59.122
bonds (distance) P-C4' energy: -62.579
flat angles C4'-P-C4' energy: -73.211
flat angles P-C4'-P energy: -47.933
tors. eta vs tors. theta energy: -64.642
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: 5
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -636.741058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.741058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.741058 (E_RNA)
where:
Base-Base interactions energy: -372.715
where: short stacking energy: -189.097
Base-Backbone interact. energy: 2.640
local terms energy: -266.666635
where:
bonds (distance) C4'-P energy: -50.455
bonds (distance) P-C4' energy: -59.105
flat angles C4'-P-C4' energy: -73.087
flat angles P-C4'-P energy: -40.279
tors. eta vs tors. theta energy: -43.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -537.023882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.023882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.023882 (E_RNA)
where:
Base-Base interactions energy: -276.631
where: short stacking energy: -135.933
Base-Backbone interact. energy: -0.728
local terms energy: -259.665138
where:
bonds (distance) C4'-P energy: -72.397
bonds (distance) P-C4' energy: -72.330
flat angles C4'-P-C4' energy: -55.513
flat angles P-C4'-P energy: -34.565
tors. eta vs tors. theta energy: -24.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -341.693859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.693859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.693859 (E_RNA)
where:
Base-Base interactions energy: -117.176
where: short stacking energy: -100.560
Base-Backbone interact. energy: -0.627
local terms energy: -223.889948
where:
bonds (distance) C4'-P energy: -53.742
bonds (distance) P-C4' energy: -73.789
flat angles C4'-P-C4' energy: -58.513
flat angles P-C4'-P energy: -28.855
tors. eta vs tors. theta energy: -8.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -285.996371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.996371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.996371 (E_RNA)
where:
Base-Base interactions energy: -100.865
where: short stacking energy: -76.741
Base-Backbone interact. energy: 3.229
local terms energy: -188.359902
where:
bonds (distance) C4'-P energy: -58.960
bonds (distance) P-C4' energy: -76.140
flat angles C4'-P-C4' energy: -47.108
flat angles P-C4'-P energy: -15.815
tors. eta vs tors. theta energy: 9.663
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: 2
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1340.307271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.307271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.307271 (E_RNA)
where:
Base-Base interactions energy: -925.349
where: short stacking energy: -381.857
Base-Backbone interact. energy: -0.907
local terms energy: -414.050986
where:
bonds (distance) C4'-P energy: -75.747
bonds (distance) P-C4' energy: -76.650
flat angles C4'-P-C4' energy: -85.366
flat angles P-C4'-P energy: -54.222
tors. eta vs tors. theta energy: -122.067
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: 1
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1261.471350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.471350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.471350 (E_RNA)
where:
Base-Base interactions energy: -866.953
where: short stacking energy: -364.559
Base-Backbone interact. energy: -2.326
local terms energy: -392.192882
where:
bonds (distance) C4'-P energy: -69.197
bonds (distance) P-C4' energy: -66.749
flat angles C4'-P-C4' energy: -75.805
flat angles P-C4'-P energy: -61.132
tors. eta vs tors. theta energy: -119.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1232.324789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.324789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.324789 (E_RNA)
where:
Base-Base interactions energy: -839.818
where: short stacking energy: -373.717
Base-Backbone interact. energy: 0.299
local terms energy: -392.806106
where:
bonds (distance) C4'-P energy: -67.003
bonds (distance) P-C4' energy: -70.620
flat angles C4'-P-C4' energy: -86.212
flat angles P-C4'-P energy: -54.135
tors. eta vs tors. theta energy: -114.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1082.743999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.743999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.743999 (E_RNA)
where:
Base-Base interactions energy: -730.409
where: short stacking energy: -313.912
Base-Backbone interact. energy: 0.872
local terms energy: -353.206667
where:
bonds (distance) C4'-P energy: -60.969
bonds (distance) P-C4' energy: -68.982
flat angles C4'-P-C4' energy: -77.932
flat angles P-C4'-P energy: -54.490
tors. eta vs tors. theta energy: -90.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -940.201946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.201946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.201946 (E_RNA)
where:
Base-Base interactions energy: -613.427
where: short stacking energy: -276.649
Base-Backbone interact. energy: -1.799
local terms energy: -324.975985
where:
bonds (distance) C4'-P energy: -64.749
bonds (distance) P-C4' energy: -61.239
flat angles C4'-P-C4' energy: -74.629
flat angles P-C4'-P energy: -59.901
tors. eta vs tors. theta energy: -64.458
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: 10
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -845.489141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.489141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.489141 (E_RNA)
where:
Base-Base interactions energy: -551.730
where: short stacking energy: -229.930
Base-Backbone interact. energy: -2.449
local terms energy: -291.310942
where:
bonds (distance) C4'-P energy: -65.083
bonds (distance) P-C4' energy: -66.885
flat angles C4'-P-C4' energy: -67.801
flat angles P-C4'-P energy: -36.591
tors. eta vs tors. theta energy: -54.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -647.723606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.723606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.723606 (E_RNA)
where:
Base-Base interactions energy: -371.625
where: short stacking energy: -169.470
Base-Backbone interact. energy: -3.737
local terms energy: -272.361375
where:
bonds (distance) C4'-P energy: -60.507
bonds (distance) P-C4' energy: -64.275
flat angles C4'-P-C4' energy: -68.865
flat angles P-C4'-P energy: -40.704
tors. eta vs tors. theta energy: -38.010
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: 8, replica: 8
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -555.934479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.934479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.934479 (E_RNA)
where:
Base-Base interactions energy: -312.091
where: short stacking energy: -166.393
Base-Backbone interact. energy: 0.262
local terms energy: -244.105181
where:
bonds (distance) C4'-P energy: -73.774
bonds (distance) P-C4' energy: -69.591
flat angles C4'-P-C4' energy: -45.972
flat angles P-C4'-P energy: -31.317
tors. eta vs tors. theta energy: -23.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -337.428331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.428331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.428331 (E_RNA)
where:
Base-Base interactions energy: -116.804
where: short stacking energy: -91.718
Base-Backbone interact. energy: 0.951
local terms energy: -221.575531
where:
bonds (distance) C4'-P energy: -60.836
bonds (distance) P-C4' energy: -73.461
flat angles C4'-P-C4' energy: -57.028
flat angles P-C4'-P energy: -28.237
tors. eta vs tors. theta energy: -2.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -296.758766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.758766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.758766 (E_RNA)
where:
Base-Base interactions energy: -113.082
where: short stacking energy: -105.936
Base-Backbone interact. energy: -0.719
local terms energy: -182.957909
where:
bonds (distance) C4'-P energy: -59.035
bonds (distance) P-C4' energy: -56.168
flat angles C4'-P-C4' energy: -46.624
flat angles P-C4'-P energy: -27.250
tors. eta vs tors. theta energy: 6.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1315.817983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.817983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.817983 (E_RNA)
where:
Base-Base interactions energy: -898.489
where: short stacking energy: -374.755
Base-Backbone interact. energy: -1.851
local terms energy: -415.477826
where:
bonds (distance) C4'-P energy: -76.016
bonds (distance) P-C4' energy: -75.116
flat angles C4'-P-C4' energy: -87.919
flat angles P-C4'-P energy: -61.093
tors. eta vs tors. theta energy: -115.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1237.764099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.764099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.764099 (E_RNA)
where:
Base-Base interactions energy: -846.863
where: short stacking energy: -357.372
Base-Backbone interact. energy: 0.278
local terms energy: -391.178802
where:
bonds (distance) C4'-P energy: -73.914
bonds (distance) P-C4' energy: -68.359
flat angles C4'-P-C4' energy: -81.646
flat angles P-C4'-P energy: -50.698
tors. eta vs tors. theta energy: -116.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1211.268674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.268674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.268674 (E_RNA)
where:
Base-Base interactions energy: -856.446
where: short stacking energy: -350.312
Base-Backbone interact. energy: -0.190
local terms energy: -354.632646
where:
bonds (distance) C4'-P energy: -63.163
bonds (distance) P-C4' energy: -55.885
flat angles C4'-P-C4' energy: -77.780
flat angles P-C4'-P energy: -50.941
tors. eta vs tors. theta energy: -106.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -1096.873725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.873725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.873725 (E_RNA)
where:
Base-Base interactions energy: -747.464
where: short stacking energy: -311.870
Base-Backbone interact. energy: -2.018
local terms energy: -347.392201
where:
bonds (distance) C4'-P energy: -77.026
bonds (distance) P-C4' energy: -69.106
flat angles C4'-P-C4' energy: -70.022
flat angles P-C4'-P energy: -43.193
tors. eta vs tors. theta energy: -88.045
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: 5, replica: 3
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -951.743541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.743541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.743541 (E_RNA)
where:
Base-Base interactions energy: -613.125
where: short stacking energy: -291.616
Base-Backbone interact. energy: -0.440
local terms energy: -338.178672
where:
bonds (distance) C4'-P energy: -67.679
bonds (distance) P-C4' energy: -75.433
flat angles C4'-P-C4' energy: -71.623
flat angles P-C4'-P energy: -41.870
tors. eta vs tors. theta energy: -81.574
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: 10
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -850.131421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.131421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.131421 (E_RNA)
where:
Base-Base interactions energy: -533.626
where: short stacking energy: -235.860
Base-Backbone interact. energy: 0.176
local terms energy: -316.681899
where:
bonds (distance) C4'-P energy: -59.875
bonds (distance) P-C4' energy: -75.335
flat angles C4'-P-C4' energy: -63.774
flat angles P-C4'-P energy: -47.770
tors. eta vs tors. theta energy: -69.928
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: 5
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -595.479715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.479715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.479715 (E_RNA)
where:
Base-Base interactions energy: -332.655
where: short stacking energy: -158.865
Base-Backbone interact. energy: -1.840
local terms energy: -260.985064
where:
bonds (distance) C4'-P energy: -59.410
bonds (distance) P-C4' energy: -70.397
flat angles C4'-P-C4' energy: -71.525
flat angles P-C4'-P energy: -39.383
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: 8, replica: 8
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -560.543347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.543347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.543347 (E_RNA)
where:
Base-Base interactions energy: -319.686
where: short stacking energy: -172.977
Base-Backbone interact. energy: -0.949
local terms energy: -239.908526
where:
bonds (distance) C4'-P energy: -60.058
bonds (distance) P-C4' energy: -61.078
flat angles C4'-P-C4' energy: -52.710
flat angles P-C4'-P energy: -40.623
tors. eta vs tors. theta energy: -25.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -344.856868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.856868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.856868 (E_RNA)
where:
Base-Base interactions energy: -132.393
where: short stacking energy: -106.486
Base-Backbone interact. energy: 0.666
local terms energy: -213.130424
where:
bonds (distance) C4'-P energy: -56.724
bonds (distance) P-C4' energy: -62.998
flat angles C4'-P-C4' energy: -61.037
flat angles P-C4'-P energy: -27.052
tors. eta vs tors. theta energy: -5.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -288.656371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.656371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.656371 (E_RNA)
where:
Base-Base interactions energy: -83.289
where: short stacking energy: -78.231
Base-Backbone interact. energy: 3.932
local terms energy: -209.298983
where:
bonds (distance) C4'-P energy: -56.385
bonds (distance) P-C4' energy: -67.354
flat angles C4'-P-C4' energy: -62.214
flat angles P-C4'-P energy: -27.873
tors. eta vs tors. theta energy: 4.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1313.254392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.254392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.254392 (E_RNA)
where:
Base-Base interactions energy: -907.414
where: short stacking energy: -384.603
Base-Backbone interact. energy: -1.058
local terms energy: -404.782533
where:
bonds (distance) C4'-P energy: -75.797
bonds (distance) P-C4' energy: -72.693
flat angles C4'-P-C4' energy: -84.552
flat angles P-C4'-P energy: -52.729
tors. eta vs tors. theta energy: -119.011
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: 2, replica: 1
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1261.970793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.970793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.970793 (E_RNA)
where:
Base-Base interactions energy: -843.494
where: short stacking energy: -351.199
Base-Backbone interact. energy: -4.259
local terms energy: -414.217767
where:
bonds (distance) C4'-P energy: -77.802
bonds (distance) P-C4' energy: -77.918
flat angles C4'-P-C4' energy: -86.590
flat angles P-C4'-P energy: -61.213
tors. eta vs tors. theta energy: -110.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1207.755731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.755731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.755731 (E_RNA)
where:
Base-Base interactions energy: -830.708
where: short stacking energy: -358.604
Base-Backbone interact. energy: -1.406
local terms energy: -375.641923
where:
bonds (distance) C4'-P energy: -76.508
bonds (distance) P-C4' energy: -60.086
flat angles C4'-P-C4' energy: -82.261
flat angles P-C4'-P energy: -44.483
tors. eta vs tors. theta energy: -112.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1068.685462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.685462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.685462 (E_RNA)
where:
Base-Base interactions energy: -719.627
where: short stacking energy: -288.554
Base-Backbone interact. energy: -2.950
local terms energy: -346.108439
where:
bonds (distance) C4'-P energy: -70.256
bonds (distance) P-C4' energy: -69.918
flat angles C4'-P-C4' energy: -73.399
flat angles P-C4'-P energy: -47.173
tors. eta vs tors. theta energy: -85.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -907.341022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.341022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.341022 (E_RNA)
where:
Base-Base interactions energy: -595.392
where: short stacking energy: -248.240
Base-Backbone interact. energy: 1.353
local terms energy: -313.301506
where:
bonds (distance) C4'-P energy: -73.346
bonds (distance) P-C4' energy: -66.474
flat angles C4'-P-C4' energy: -72.639
flat angles P-C4'-P energy: -40.242
tors. eta vs tors. theta energy: -60.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -837.917512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.917512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.917512 (E_RNA)
where:
Base-Base interactions energy: -528.740
where: short stacking energy: -248.208
Base-Backbone interact. energy: -2.439
local terms energy: -306.738139
where:
bonds (distance) C4'-P energy: -64.825
bonds (distance) P-C4' energy: -80.530
flat angles C4'-P-C4' energy: -65.742
flat angles P-C4'-P energy: -37.318
tors. eta vs tors. theta energy: -58.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -651.258709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.258709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.258709 (E_RNA)
where:
Base-Base interactions energy: -382.326
where: short stacking energy: -179.330
Base-Backbone interact. energy: -1.857
local terms energy: -267.075896
where:
bonds (distance) C4'-P energy: -59.655
bonds (distance) P-C4' energy: -59.875
flat angles C4'-P-C4' energy: -64.979
flat angles P-C4'-P energy: -46.041
tors. eta vs tors. theta energy: -36.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -564.780743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.780743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.780743 (E_RNA)
where:
Base-Base interactions energy: -312.950
where: short stacking energy: -158.483
Base-Backbone interact. energy: -0.367
local terms energy: -251.464264
where:
bonds (distance) C4'-P energy: -65.755
bonds (distance) P-C4' energy: -70.785
flat angles C4'-P-C4' energy: -65.668
flat angles P-C4'-P energy: -30.683
tors. eta vs tors. theta energy: -18.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -366.539373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.539373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.539373 (E_RNA)
where:
Base-Base interactions energy: -158.512
where: short stacking energy: -82.615
Base-Backbone interact. energy: 2.089
local terms energy: -210.116710
where:
bonds (distance) C4'-P energy: -60.944
bonds (distance) P-C4' energy: -67.872
flat angles C4'-P-C4' energy: -48.211
flat angles P-C4'-P energy: -39.971
tors. eta vs tors. theta energy: 6.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -326.128439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.128439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.128439 (E_RNA)
where:
Base-Base interactions energy: -120.123
where: short stacking energy: -95.870
Base-Backbone interact. energy: -0.195
local terms energy: -205.810098
where:
bonds (distance) C4'-P energy: -58.434
bonds (distance) P-C4' energy: -58.186
flat angles C4'-P-C4' energy: -54.041
flat angles P-C4'-P energy: -32.520
tors. eta vs tors. theta energy: -2.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1308.343473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.343473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.343473 (E_RNA)
where:
Base-Base interactions energy: -921.941
where: short stacking energy: -386.326
Base-Backbone interact. energy: 3.391
local terms energy: -389.793093
where:
bonds (distance) C4'-P energy: -68.116
bonds (distance) P-C4' energy: -66.088
flat angles C4'-P-C4' energy: -84.988
flat angles P-C4'-P energy: -57.837
tors. eta vs tors. theta energy: -112.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1239.280569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.280569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.280569 (E_RNA)
where:
Base-Base interactions energy: -837.059
where: short stacking energy: -355.929
Base-Backbone interact. energy: -0.509
local terms energy: -401.712317
where:
bonds (distance) C4'-P energy: -72.334
bonds (distance) P-C4' energy: -81.064
flat angles C4'-P-C4' energy: -86.001
flat angles P-C4'-P energy: -55.742
tors. eta vs tors. theta energy: -106.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1236.598705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.598705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.598705 (E_RNA)
where:
Base-Base interactions energy: -841.271
where: short stacking energy: -365.310
Base-Backbone interact. energy: -2.922
local terms energy: -392.406325
where:
bonds (distance) C4'-P energy: -68.037
bonds (distance) P-C4' energy: -78.250
flat angles C4'-P-C4' energy: -80.675
flat angles P-C4'-P energy: -47.807
tors. eta vs tors. theta energy: -117.637
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: 7
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1064.084660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.084660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.084660 (E_RNA)
where:
Base-Base interactions energy: -705.223
where: short stacking energy: -293.888
Base-Backbone interact. energy: -1.400
local terms energy: -357.461722
where:
bonds (distance) C4'-P energy: -74.019
bonds (distance) P-C4' energy: -67.734
flat angles C4'-P-C4' energy: -78.588
flat angles P-C4'-P energy: -52.428
tors. eta vs tors. theta energy: -84.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -941.128807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.128807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.128807 (E_RNA)
where:
Base-Base interactions energy: -617.535
where: short stacking energy: -253.196
Base-Backbone interact. energy: -0.266
local terms energy: -323.327705
where:
bonds (distance) C4'-P energy: -65.812
bonds (distance) P-C4' energy: -60.229
flat angles C4'-P-C4' energy: -83.087
flat angles P-C4'-P energy: -48.600
tors. eta vs tors. theta energy: -65.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -826.447937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.447937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.447937 (E_RNA)
where:
Base-Base interactions energy: -513.026
where: short stacking energy: -235.823
Base-Backbone interact. energy: -0.688
local terms energy: -312.734554
where:
bonds (distance) C4'-P energy: -61.645
bonds (distance) P-C4' energy: -69.774
flat angles C4'-P-C4' energy: -72.736
flat angles P-C4'-P energy: -49.623
tors. eta vs tors. theta energy: -58.956
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: 287
Temperature: 1.200000
Total energy: -642.452068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.452068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.452068 (E_RNA)
where:
Base-Base interactions energy: -381.197
where: short stacking energy: -206.449
Base-Backbone interact. energy: -2.013
local terms energy: -259.241292
where:
bonds (distance) C4'-P energy: -54.822
bonds (distance) P-C4' energy: -62.956
flat angles C4'-P-C4' energy: -52.147
flat angles P-C4'-P energy: -49.709
tors. eta vs tors. theta energy: -39.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -568.952162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.952162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.952162 (E_RNA)
where:
Base-Base interactions energy: -328.884
where: short stacking energy: -176.850
Base-Backbone interact. energy: -0.728
local terms energy: -239.340509
where:
bonds (distance) C4'-P energy: -63.708
bonds (distance) P-C4' energy: -60.449
flat angles C4'-P-C4' energy: -60.281
flat angles P-C4'-P energy: -29.246
tors. eta vs tors. theta energy: -25.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -312.086395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.086395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.086395 (E_RNA)
where:
Base-Base interactions energy: -96.213
where: short stacking energy: -73.238
Base-Backbone interact. energy: 7.434
local terms energy: -223.307755
where:
bonds (distance) C4'-P energy: -67.957
bonds (distance) P-C4' energy: -72.024
flat angles C4'-P-C4' energy: -62.959
flat angles P-C4'-P energy: -40.012
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: 10, replica: 4
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -325.125759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.125759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.125759 (E_RNA)
where:
Base-Base interactions energy: -147.408
where: short stacking energy: -93.632
Base-Backbone interact. energy: -1.280
local terms energy: -176.436889
where:
bonds (distance) C4'-P energy: -52.955
bonds (distance) P-C4' energy: -61.591
flat angles C4'-P-C4' energy: -39.199
flat angles P-C4'-P energy: -38.032
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: 1, replica: 2
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1316.391743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.391743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.391743 (E_RNA)
where:
Base-Base interactions energy: -921.392
where: short stacking energy: -405.717
Base-Backbone interact. energy: 0.734
local terms energy: -395.733909
where:
bonds (distance) C4'-P energy: -74.009
bonds (distance) P-C4' energy: -68.144
flat angles C4'-P-C4' energy: -85.589
flat angles P-C4'-P energy: -49.677
tors. eta vs tors. theta energy: -118.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1253.859061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.859061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.859061 (E_RNA)
where:
Base-Base interactions energy: -856.996
where: short stacking energy: -379.074
Base-Backbone interact. energy: -0.318
local terms energy: -396.545141
where:
bonds (distance) C4'-P energy: -67.653
bonds (distance) P-C4' energy: -73.820
flat angles C4'-P-C4' energy: -87.691
flat angles P-C4'-P energy: -51.184
tors. eta vs tors. theta energy: -116.197
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: 3, replica: 1
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1223.332655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.332655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.332655 (E_RNA)
where:
Base-Base interactions energy: -833.102
where: short stacking energy: -352.571
Base-Backbone interact. energy: -2.987
local terms energy: -387.244513
where:
bonds (distance) C4'-P energy: -71.967
bonds (distance) P-C4' energy: -69.925
flat angles C4'-P-C4' energy: -83.116
flat angles P-C4'-P energy: -48.457
tors. eta vs tors. theta energy: -113.779
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: 7
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1070.770701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.770701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.770701 (E_RNA)
where:
Base-Base interactions energy: -723.746
where: short stacking energy: -315.977
Base-Backbone interact. energy: 0.001
local terms energy: -347.025838
where:
bonds (distance) C4'-P energy: -69.265
bonds (distance) P-C4' energy: -67.489
flat angles C4'-P-C4' energy: -71.437
flat angles P-C4'-P energy: -50.829
tors. eta vs tors. theta energy: -88.007
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: 288
Temperature: 1.100000
Total energy: -907.524015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.524015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.524015 (E_RNA)
where:
Base-Base interactions energy: -586.674
where: short stacking energy: -257.718
Base-Backbone interact. energy: -0.541
local terms energy: -320.308728
where:
bonds (distance) C4'-P energy: -65.206
bonds (distance) P-C4' energy: -73.200
flat angles C4'-P-C4' energy: -77.658
flat angles P-C4'-P energy: -38.108
tors. eta vs tors. theta energy: -66.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -888.315369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.315369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.315369 (E_RNA)
where:
Base-Base interactions energy: -561.549
where: short stacking energy: -260.425
Base-Backbone interact. energy: -1.635
local terms energy: -325.131173
where:
bonds (distance) C4'-P energy: -63.388
bonds (distance) P-C4' energy: -69.383
flat angles C4'-P-C4' energy: -80.481
flat angles P-C4'-P energy: -50.163
tors. eta vs tors. theta energy: -61.716
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: 8
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -573.900436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.900436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.900436 (E_RNA)
where:
Base-Base interactions energy: -322.630
where: short stacking energy: -150.320
Base-Backbone interact. energy: -1.630
local terms energy: -249.639794
where:
bonds (distance) C4'-P energy: -55.681
bonds (distance) P-C4' energy: -69.996
flat angles C4'-P-C4' energy: -50.448
flat angles P-C4'-P energy: -46.867
tors. eta vs tors. theta energy: -26.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -619.253964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.253964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.253964 (E_RNA)
where:
Base-Base interactions energy: -396.028
where: short stacking energy: -178.402
Base-Backbone interact. energy: -1.830
local terms energy: -221.396057
where:
bonds (distance) C4'-P energy: -49.696
bonds (distance) P-C4' energy: -53.867
flat angles C4'-P-C4' energy: -54.849
flat angles P-C4'-P energy: -27.705
tors. eta vs tors. theta energy: -35.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -358.730181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.730181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.730181 (E_RNA)
where:
Base-Base interactions energy: -113.239
where: short stacking energy: -92.325
Base-Backbone interact. energy: 0.024
local terms energy: -245.515066
where:
bonds (distance) C4'-P energy: -69.596
bonds (distance) P-C4' energy: -69.219
flat angles C4'-P-C4' energy: -62.776
flat angles P-C4'-P energy: -34.004
tors. eta vs tors. theta energy: -9.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -297.567441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.567441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.567441 (E_RNA)
where:
Base-Base interactions energy: -108.585
where: short stacking energy: -97.124
Base-Backbone interact. energy: -1.590
local terms energy: -187.392469
where:
bonds (distance) C4'-P energy: -68.813
bonds (distance) P-C4' energy: -53.177
flat angles C4'-P-C4' energy: -44.883
flat angles P-C4'-P energy: -25.768
tors. eta vs tors. theta energy: 5.248
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: 289
Temperature: 0.900000
Total energy: -1314.329145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.329145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.329145 (E_RNA)
where:
Base-Base interactions energy: -893.271
where: short stacking energy: -392.821
Base-Backbone interact. energy: -0.322
local terms energy: -420.735957
where:
bonds (distance) C4'-P energy: -73.227
bonds (distance) P-C4' energy: -80.185
flat angles C4'-P-C4' energy: -85.882
flat angles P-C4'-P energy: -58.651
tors. eta vs tors. theta energy: -122.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1244.180363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.180363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.180363 (E_RNA)
where:
Base-Base interactions energy: -846.544
where: short stacking energy: -368.212
Base-Backbone interact. energy: -0.358
local terms energy: -397.279053
where:
bonds (distance) C4'-P energy: -70.611
bonds (distance) P-C4' energy: -80.771
flat angles C4'-P-C4' energy: -78.620
flat angles P-C4'-P energy: -53.469
tors. eta vs tors. theta energy: -113.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1223.801940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.801940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.801940 (E_RNA)
where:
Base-Base interactions energy: -841.438
where: short stacking energy: -362.668
Base-Backbone interact. energy: -0.907
local terms energy: -381.457763
where:
bonds (distance) C4'-P energy: -67.175
bonds (distance) P-C4' energy: -65.755
flat angles C4'-P-C4' energy: -77.527
flat angles P-C4'-P energy: -52.833
tors. eta vs tors. theta energy: -118.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -1105.213787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.213787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.213787 (E_RNA)
where:
Base-Base interactions energy: -759.565
where: short stacking energy: -307.094
Base-Backbone interact. energy: 0.537
local terms energy: -346.185175
where:
bonds (distance) C4'-P energy: -65.963
bonds (distance) P-C4' energy: -70.184
flat angles C4'-P-C4' energy: -78.085
flat angles P-C4'-P energy: -44.352
tors. eta vs tors. theta energy: -87.601
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: 3
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -906.552273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.552273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.552273 (E_RNA)
where:
Base-Base interactions energy: -574.819
where: short stacking energy: -261.515
Base-Backbone interact. energy: -1.643
local terms energy: -330.089613
where:
bonds (distance) C4'-P energy: -64.468
bonds (distance) P-C4' energy: -69.238
flat angles C4'-P-C4' energy: -81.573
flat angles P-C4'-P energy: -49.652
tors. eta vs tors. theta energy: -65.159
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: 10
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -847.045112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.045112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.045112 (E_RNA)
where:
Base-Base interactions energy: -543.133
where: short stacking energy: -236.210
Base-Backbone interact. energy: -1.805
local terms energy: -302.106402
where:
bonds (distance) C4'-P energy: -62.584
bonds (distance) P-C4' energy: -66.707
flat angles C4'-P-C4' energy: -65.317
flat angles P-C4'-P energy: -48.496
tors. eta vs tors. theta energy: -59.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -576.349596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.349596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.349596 (E_RNA)
where:
Base-Base interactions energy: -319.167
where: short stacking energy: -152.700
Base-Backbone interact. energy: 0.930
local terms energy: -258.111753
where:
bonds (distance) C4'-P energy: -62.170
bonds (distance) P-C4' energy: -70.438
flat angles C4'-P-C4' energy: -61.826
flat angles P-C4'-P energy: -41.687
tors. eta vs tors. theta energy: -21.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -718.559718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.559718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.559718 (E_RNA)
where:
Base-Base interactions energy: -442.191
where: short stacking energy: -190.488
Base-Backbone interact. energy: 0.698
local terms energy: -277.067153
where:
bonds (distance) C4'-P energy: -54.758
bonds (distance) P-C4' energy: -72.333
flat angles C4'-P-C4' energy: -71.948
flat angles P-C4'-P energy: -39.578
tors. eta vs tors. theta energy: -38.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -366.340624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.340624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.340624 (E_RNA)
where:
Base-Base interactions energy: -160.096
where: short stacking energy: -114.343
Base-Backbone interact. energy: 1.129
local terms energy: -207.373436
where:
bonds (distance) C4'-P energy: -60.708
bonds (distance) P-C4' energy: -59.576
flat angles C4'-P-C4' energy: -46.296
flat angles P-C4'-P energy: -35.685
tors. eta vs tors. theta energy: -5.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -271.635427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.635427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.635427 (E_RNA)
where:
Base-Base interactions energy: -95.197
where: short stacking energy: -64.285
Base-Backbone interact. energy: 4.163
local terms energy: -180.601292
where:
bonds (distance) C4'-P energy: -60.612
bonds (distance) P-C4' energy: -53.751
flat angles C4'-P-C4' energy: -41.216
flat angles P-C4'-P energy: -39.936
tors. eta vs tors. theta energy: 14.913
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: 290
Temperature: 0.900000
Total energy: -1321.240460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.240460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.240460 (E_RNA)
where:
Base-Base interactions energy: -944.541
where: short stacking energy: -386.616
Base-Backbone interact. energy: -1.196
local terms energy: -375.502993
where:
bonds (distance) C4'-P energy: -60.095
bonds (distance) P-C4' energy: -71.117
flat angles C4'-P-C4' energy: -79.459
flat angles P-C4'-P energy: -55.706
tors. eta vs tors. theta energy: -109.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1243.335125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.335125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.335125 (E_RNA)
where:
Base-Base interactions energy: -844.299
where: short stacking energy: -357.634
Base-Backbone interact. energy: 0.185
local terms energy: -399.220953
where:
bonds (distance) C4'-P energy: -68.298
bonds (distance) P-C4' energy: -77.317
flat angles C4'-P-C4' energy: -82.716
flat angles P-C4'-P energy: -53.780
tors. eta vs tors. theta energy: -117.111
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: 1
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1221.662406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.662406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.662406 (E_RNA)
where:
Base-Base interactions energy: -826.258
where: short stacking energy: -347.843
Base-Backbone interact. energy: -1.319
local terms energy: -394.085216
where:
bonds (distance) C4'-P energy: -78.516
bonds (distance) P-C4' energy: -72.522
flat angles C4'-P-C4' energy: -81.871
flat angles P-C4'-P energy: -49.923
tors. eta vs tors. theta energy: -111.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1089.386874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.386874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.386874 (E_RNA)
where:
Base-Base interactions energy: -741.051
where: short stacking energy: -290.993
Base-Backbone interact. energy: -1.904
local terms energy: -346.431323
where:
bonds (distance) C4'-P energy: -73.513
bonds (distance) P-C4' energy: -55.141
flat angles C4'-P-C4' energy: -91.753
flat angles P-C4'-P energy: -45.165
tors. eta vs tors. theta energy: -80.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -903.195137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.195137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.195137 (E_RNA)
where:
Base-Base interactions energy: -583.208
where: short stacking energy: -278.952
Base-Backbone interact. energy: -1.262
local terms energy: -318.724970
where:
bonds (distance) C4'-P energy: -73.576
bonds (distance) P-C4' energy: -68.628
flat angles C4'-P-C4' energy: -70.125
flat angles P-C4'-P energy: -37.819
tors. eta vs tors. theta energy: -68.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -876.529161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.529161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.529161 (E_RNA)
where:
Base-Base interactions energy: -573.247
where: short stacking energy: -247.368
Base-Backbone interact. energy: -1.868
local terms energy: -301.414715
where:
bonds (distance) C4'-P energy: -60.989
bonds (distance) P-C4' energy: -70.075
flat angles C4'-P-C4' energy: -64.786
flat angles P-C4'-P energy: -47.013
tors. eta vs tors. theta energy: -58.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -779.760382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.760382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.760382 (E_RNA)
where:
Base-Base interactions energy: -505.681
where: short stacking energy: -214.179
Base-Backbone interact. energy: -1.128
local terms energy: -272.951641
where:
bonds (distance) C4'-P energy: -62.824
bonds (distance) P-C4' energy: -65.571
flat angles C4'-P-C4' energy: -60.903
flat angles P-C4'-P energy: -42.818
tors. eta vs tors. theta energy: -40.836
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: 8
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -581.995539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.995539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.995539 (E_RNA)
where:
Base-Base interactions energy: -325.316
where: short stacking energy: -161.541
Base-Backbone interact. energy: -1.525
local terms energy: -255.154594
where:
bonds (distance) C4'-P energy: -55.324
bonds (distance) P-C4' energy: -65.731
flat angles C4'-P-C4' energy: -66.325
flat angles P-C4'-P energy: -34.520
tors. eta vs tors. theta energy: -33.254
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: 4
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -322.658182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.658182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.658182 (E_RNA)
where:
Base-Base interactions energy: -110.633
where: short stacking energy: -100.370
Base-Backbone interact. energy: -0.322
local terms energy: -211.703535
where:
bonds (distance) C4'-P energy: -64.427
bonds (distance) P-C4' energy: -71.274
flat angles C4'-P-C4' energy: -58.384
flat angles P-C4'-P energy: -24.465
tors. eta vs tors. theta energy: 6.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -297.956480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.956480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.956480 (E_RNA)
where:
Base-Base interactions energy: -90.828
where: short stacking energy: -66.262
Base-Backbone interact. energy: 0.738
local terms energy: -207.866720
where:
bonds (distance) C4'-P energy: -65.679
bonds (distance) P-C4' energy: -77.280
flat angles C4'-P-C4' energy: -44.434
flat angles P-C4'-P energy: -35.330
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: 1, replica: 2
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1324.327266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.327266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.327266 (E_RNA)
where:
Base-Base interactions energy: -919.529
where: short stacking energy: -386.485
Base-Backbone interact. energy: -0.555
local terms energy: -404.244133
where:
bonds (distance) C4'-P energy: -63.310
bonds (distance) P-C4' energy: -77.808
flat angles C4'-P-C4' energy: -89.178
flat angles P-C4'-P energy: -53.230
tors. eta vs tors. theta energy: -120.718
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: 1
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1230.958096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.958096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.958096 (E_RNA)
where:
Base-Base interactions energy: -840.014
where: short stacking energy: -339.663
Base-Backbone interact. energy: -3.995
local terms energy: -386.949593
where:
bonds (distance) C4'-P energy: -77.238
bonds (distance) P-C4' energy: -74.604
flat angles C4'-P-C4' energy: -79.454
flat angles P-C4'-P energy: -45.516
tors. eta vs tors. theta energy: -110.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1220.028676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.028676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.028676 (E_RNA)
where:
Base-Base interactions energy: -826.634
where: short stacking energy: -356.098
Base-Backbone interact. energy: -1.228
local terms energy: -392.166075
where:
bonds (distance) C4'-P energy: -78.364
bonds (distance) P-C4' energy: -64.239
flat angles C4'-P-C4' energy: -87.660
flat angles P-C4'-P energy: -54.865
tors. eta vs tors. theta energy: -107.038
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: 3
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -945.965588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.965588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.965588 (E_RNA)
where:
Base-Base interactions energy: -614.737
where: short stacking energy: -283.388
Base-Backbone interact. energy: -1.571
local terms energy: -329.657575
where:
bonds (distance) C4'-P energy: -71.563
bonds (distance) P-C4' energy: -64.573
flat angles C4'-P-C4' energy: -71.873
flat angles P-C4'-P energy: -46.606
tors. eta vs tors. theta energy: -75.043
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: 7
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1078.084057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.084057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.084057 (E_RNA)
where:
Base-Base interactions energy: -745.008
where: short stacking energy: -288.751
Base-Backbone interact. energy: 0.156
local terms energy: -333.232098
where:
bonds (distance) C4'-P energy: -64.088
bonds (distance) P-C4' energy: -64.338
flat angles C4'-P-C4' energy: -75.848
flat angles P-C4'-P energy: -40.315
tors. eta vs tors. theta energy: -88.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -921.962376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.962376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.962376 (E_RNA)
where:
Base-Base interactions energy: -604.130
where: short stacking energy: -259.414
Base-Backbone interact. energy: 1.361
local terms energy: -319.193022
where:
bonds (distance) C4'-P energy: -65.503
bonds (distance) P-C4' energy: -64.092
flat angles C4'-P-C4' energy: -67.996
flat angles P-C4'-P energy: -50.408
tors. eta vs tors. theta energy: -71.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -835.353070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.353070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.353070 (E_RNA)
where:
Base-Base interactions energy: -524.300
where: short stacking energy: -213.429
Base-Backbone interact. energy: -1.647
local terms energy: -309.405598
where:
bonds (distance) C4'-P energy: -73.646
bonds (distance) P-C4' energy: -75.045
flat angles C4'-P-C4' energy: -61.648
flat angles P-C4'-P energy: -46.968
tors. eta vs tors. theta energy: -52.098
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: 8, replica: 8
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -601.399690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.399690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.399690 (E_RNA)
where:
Base-Base interactions energy: -323.219
where: short stacking energy: -163.204
Base-Backbone interact. energy: -1.645
local terms energy: -276.535415
where:
bonds (distance) C4'-P energy: -67.106
bonds (distance) P-C4' energy: -67.817
flat angles C4'-P-C4' energy: -64.264
flat angles P-C4'-P energy: -48.020
tors. eta vs tors. theta energy: -29.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -307.114376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.114376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.114376 (E_RNA)
where:
Base-Base interactions energy: -95.503
where: short stacking energy: -95.503
Base-Backbone interact. energy: -0.996
local terms energy: -210.615578
where:
bonds (distance) C4'-P energy: -51.380
bonds (distance) P-C4' energy: -68.856
flat angles C4'-P-C4' energy: -52.104
flat angles P-C4'-P energy: -44.902
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: 10, replica: 6
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -346.600038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.600038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.600038 (E_RNA)
where:
Base-Base interactions energy: -144.383
where: short stacking energy: -94.617
Base-Backbone interact. energy: 0.897
local terms energy: -203.113750
where:
bonds (distance) C4'-P energy: -47.801
bonds (distance) P-C4' energy: -58.919
flat angles C4'-P-C4' energy: -52.583
flat angles P-C4'-P energy: -40.701
tors. eta vs tors. theta energy: -3.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1318.583089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.583089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.583089 (E_RNA)
where:
Base-Base interactions energy: -913.136
where: short stacking energy: -379.505
Base-Backbone interact. energy: -0.914
local terms energy: -404.533505
where:
bonds (distance) C4'-P energy: -76.865
bonds (distance) P-C4' energy: -79.692
flat angles C4'-P-C4' energy: -78.809
flat angles P-C4'-P energy: -47.996
tors. eta vs tors. theta energy: -121.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1239.100235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.100235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.100235 (E_RNA)
where:
Base-Base interactions energy: -830.080
where: short stacking energy: -356.964
Base-Backbone interact. energy: -2.159
local terms energy: -406.861053
where:
bonds (distance) C4'-P energy: -68.058
bonds (distance) P-C4' energy: -67.990
flat angles C4'-P-C4' energy: -88.714
flat angles P-C4'-P energy: -68.401
tors. eta vs tors. theta energy: -113.700
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: 3, replica: 9
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1233.747560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.747560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.747560 (E_RNA)
where:
Base-Base interactions energy: -850.481
where: short stacking energy: -373.817
Base-Backbone interact. energy: -1.377
local terms energy: -381.889337
where:
bonds (distance) C4'-P energy: -68.714
bonds (distance) P-C4' energy: -58.424
flat angles C4'-P-C4' energy: -80.471
flat angles P-C4'-P energy: -57.873
tors. eta vs tors. theta energy: -116.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -968.457214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.457214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.457214 (E_RNA)
where:
Base-Base interactions energy: -611.870
where: short stacking energy: -271.730
Base-Backbone interact. energy: -1.573
local terms energy: -355.013694
where:
bonds (distance) C4'-P energy: -76.930
bonds (distance) P-C4' energy: -79.336
flat angles C4'-P-C4' energy: -74.513
flat angles P-C4'-P energy: -47.473
tors. eta vs tors. theta energy: -76.762
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: 7
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1045.347025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.347025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.347025 (E_RNA)
where:
Base-Base interactions energy: -722.272
where: short stacking energy: -288.512
Base-Backbone interact. energy: -2.655
local terms energy: -320.419507
where:
bonds (distance) C4'-P energy: -68.678
bonds (distance) P-C4' energy: -67.515
flat angles C4'-P-C4' energy: -62.110
flat angles P-C4'-P energy: -47.858
tors. eta vs tors. theta energy: -74.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -949.205703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.205703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.205703 (E_RNA)
where:
Base-Base interactions energy: -630.071
where: short stacking energy: -277.605
Base-Backbone interact. energy: -0.935
local terms energy: -318.199518
where:
bonds (distance) C4'-P energy: -71.071
bonds (distance) P-C4' energy: -54.365
flat angles C4'-P-C4' energy: -78.050
flat angles P-C4'-P energy: -37.174
tors. eta vs tors. theta energy: -77.539
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: 292
Temperature: 1.200000
Total energy: -847.884892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.884892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.884892 (E_RNA)
where:
Base-Base interactions energy: -532.278
where: short stacking energy: -219.830
Base-Backbone interact. energy: -1.378
local terms energy: -314.228945
where:
bonds (distance) C4'-P energy: -70.264
bonds (distance) P-C4' energy: -78.738
flat angles C4'-P-C4' energy: -74.092
flat angles P-C4'-P energy: -39.712
tors. eta vs tors. theta energy: -51.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -575.881321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.881321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.881321 (E_RNA)
where:
Base-Base interactions energy: -345.119
where: short stacking energy: -150.796
Base-Backbone interact. energy: -1.909
local terms energy: -228.852734
where:
bonds (distance) C4'-P energy: -69.773
bonds (distance) P-C4' energy: -52.258
flat angles C4'-P-C4' energy: -57.987
flat angles P-C4'-P energy: -33.025
tors. eta vs tors. theta energy: -15.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -309.338712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.338712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.338712 (E_RNA)
where:
Base-Base interactions energy: -123.993
where: short stacking energy: -81.712
Base-Backbone interact. energy: 4.393
local terms energy: -189.738374
where:
bonds (distance) C4'-P energy: -57.136
bonds (distance) P-C4' energy: -70.307
flat angles C4'-P-C4' energy: -60.336
flat angles P-C4'-P energy: -18.623
tors. eta vs tors. theta energy: 16.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -304.959824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.959824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.959824 (E_RNA)
where:
Base-Base interactions energy: -114.899
where: short stacking energy: -73.501
Base-Backbone interact. energy: 0.517
local terms energy: -190.577760
where:
bonds (distance) C4'-P energy: -65.141
bonds (distance) P-C4' energy: -57.661
flat angles C4'-P-C4' energy: -41.995
flat angles P-C4'-P energy: -27.778
tors. eta vs tors. theta energy: 1.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1319.135318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.135318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.135318 (E_RNA)
where:
Base-Base interactions energy: -914.683
where: short stacking energy: -387.432
Base-Backbone interact. energy: 2.007
local terms energy: -406.458873
where:
bonds (distance) C4'-P energy: -69.179
bonds (distance) P-C4' energy: -78.285
flat angles C4'-P-C4' energy: -82.978
flat angles P-C4'-P energy: -61.817
tors. eta vs tors. theta energy: -114.200
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: 1
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1255.909709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.909709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.909709 (E_RNA)
where:
Base-Base interactions energy: -858.690
where: short stacking energy: -365.391
Base-Backbone interact. energy: -4.526
local terms energy: -392.693024
where:
bonds (distance) C4'-P energy: -78.417
bonds (distance) P-C4' energy: -63.161
flat angles C4'-P-C4' energy: -84.689
flat angles P-C4'-P energy: -51.063
tors. eta vs tors. theta energy: -115.364
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: 9
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -1213.994312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.994312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.994312 (E_RNA)
where:
Base-Base interactions energy: -821.916
where: short stacking energy: -338.135
Base-Backbone interact. energy: 0.107
local terms energy: -392.185299
where:
bonds (distance) C4'-P energy: -73.591
bonds (distance) P-C4' energy: -75.987
flat angles C4'-P-C4' energy: -86.798
flat angles P-C4'-P energy: -54.049
tors. eta vs tors. theta energy: -101.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1110.426552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.426552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.426552 (E_RNA)
where:
Base-Base interactions energy: -766.595
where: short stacking energy: -326.073
Base-Backbone interact. energy: -1.052
local terms energy: -342.779765
where:
bonds (distance) C4'-P energy: -65.976
bonds (distance) P-C4' energy: -63.114
flat angles C4'-P-C4' energy: -76.106
flat angles P-C4'-P energy: -48.173
tors. eta vs tors. theta energy: -89.412
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: 3
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -951.325920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.325920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.325920 (E_RNA)
where:
Base-Base interactions energy: -620.012
where: short stacking energy: -274.105
Base-Backbone interact. energy: -2.100
local terms energy: -329.213783
where:
bonds (distance) C4'-P energy: -66.901
bonds (distance) P-C4' energy: -76.873
flat angles C4'-P-C4' energy: -65.296
flat angles P-C4'-P energy: -44.076
tors. eta vs tors. theta energy: -76.068
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: 293
Temperature: 1.150000
Total energy: -894.549791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.549791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.549791 (E_RNA)
where:
Base-Base interactions energy: -599.524
where: short stacking energy: -273.891
Base-Backbone interact. energy: 2.316
local terms energy: -297.342178
where:
bonds (distance) C4'-P energy: -54.534
bonds (distance) P-C4' energy: -49.779
flat angles C4'-P-C4' energy: -66.136
flat angles P-C4'-P energy: -50.026
tors. eta vs tors. theta energy: -76.867
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: 293
Temperature: 1.200000
Total energy: -816.069520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.069520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.069520 (E_RNA)
where:
Base-Base interactions energy: -525.697
where: short stacking energy: -243.028
Base-Backbone interact. energy: -0.961
local terms energy: -289.412381
where:
bonds (distance) C4'-P energy: -68.460
bonds (distance) P-C4' energy: -67.753
flat angles C4'-P-C4' energy: -54.162
flat angles P-C4'-P energy: -38.083
tors. eta vs tors. theta energy: -60.954
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: 8
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -566.470879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.470879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.470879 (E_RNA)
where:
Base-Base interactions energy: -311.594
where: short stacking energy: -148.810
Base-Backbone interact. energy: 3.735
local terms energy: -258.612002
where:
bonds (distance) C4'-P energy: -67.632
bonds (distance) P-C4' energy: -62.710
flat angles C4'-P-C4' energy: -67.142
flat angles P-C4'-P energy: -44.760
tors. eta vs tors. theta energy: -16.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -344.454813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.454813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.454813 (E_RNA)
where:
Base-Base interactions energy: -128.704
where: short stacking energy: -92.926
Base-Backbone interact. energy: 4.093
local terms energy: -219.843617
where:
bonds (distance) C4'-P energy: -56.059
bonds (distance) P-C4' energy: -68.915
flat angles C4'-P-C4' energy: -58.596
flat angles P-C4'-P energy: -36.937
tors. eta vs tors. theta energy: 0.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -290.980132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.980132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.980132 (E_RNA)
where:
Base-Base interactions energy: -85.282
where: short stacking energy: -55.010
Base-Backbone interact. energy: -1.192
local terms energy: -204.506615
where:
bonds (distance) C4'-P energy: -49.420
bonds (distance) P-C4' energy: -82.289
flat angles C4'-P-C4' energy: -57.327
flat angles P-C4'-P energy: -33.535
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: 1, replica: 2
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1318.067206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.067206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.067206 (E_RNA)
where:
Base-Base interactions energy: -913.589
where: short stacking energy: -380.995
Base-Backbone interact. energy: 0.611
local terms energy: -405.088437
where:
bonds (distance) C4'-P energy: -71.423
bonds (distance) P-C4' energy: -80.089
flat angles C4'-P-C4' energy: -82.522
flat angles P-C4'-P energy: -54.568
tors. eta vs tors. theta energy: -116.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1243.620692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.620692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.620692 (E_RNA)
where:
Base-Base interactions energy: -859.082
where: short stacking energy: -361.233
Base-Backbone interact. energy: -2.515
local terms energy: -382.023375
where:
bonds (distance) C4'-P energy: -68.581
bonds (distance) P-C4' energy: -62.100
flat angles C4'-P-C4' energy: -79.210
flat angles P-C4'-P energy: -52.403
tors. eta vs tors. theta energy: -119.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -1232.671623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.671623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.671623 (E_RNA)
where:
Base-Base interactions energy: -826.608
where: short stacking energy: -361.978
Base-Backbone interact. energy: 0.560
local terms energy: -406.623295
where:
bonds (distance) C4'-P energy: -72.932
bonds (distance) P-C4' energy: -75.119
flat angles C4'-P-C4' energy: -84.986
flat angles P-C4'-P energy: -55.302
tors. eta vs tors. theta energy: -118.284
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: 7
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1103.854988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.854988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.854988 (E_RNA)
where:
Base-Base interactions energy: -746.913
where: short stacking energy: -314.154
Base-Backbone interact. energy: -0.000
local terms energy: -356.941789
where:
bonds (distance) C4'-P energy: -63.117
bonds (distance) P-C4' energy: -63.905
flat angles C4'-P-C4' energy: -86.996
flat angles P-C4'-P energy: -50.804
tors. eta vs tors. theta energy: -92.121
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: 5, replica: 3
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -929.162539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.162539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.162539 (E_RNA)
where:
Base-Base interactions energy: -604.719
where: short stacking energy: -253.050
Base-Backbone interact. energy: -0.699
local terms energy: -323.744481
where:
bonds (distance) C4'-P energy: -60.988
bonds (distance) P-C4' energy: -71.669
flat angles C4'-P-C4' energy: -69.372
flat angles P-C4'-P energy: -42.558
tors. eta vs tors. theta energy: -79.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -877.777866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.777866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.777866 (E_RNA)
where:
Base-Base interactions energy: -592.805
where: short stacking energy: -264.687
Base-Backbone interact. energy: -0.368
local terms energy: -284.605576
where:
bonds (distance) C4'-P energy: -68.659
bonds (distance) P-C4' energy: -59.297
flat angles C4'-P-C4' energy: -52.635
flat angles P-C4'-P energy: -49.100
tors. eta vs tors. theta energy: -54.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -785.383030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.383030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.383030 (E_RNA)
where:
Base-Base interactions energy: -537.527
where: short stacking energy: -231.543
Base-Backbone interact. energy: -1.009
local terms energy: -246.846721
where:
bonds (distance) C4'-P energy: -56.986
bonds (distance) P-C4' energy: -50.274
flat angles C4'-P-C4' energy: -48.910
flat angles P-C4'-P energy: -45.038
tors. eta vs tors. theta energy: -45.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -548.888598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.888598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.888598 (E_RNA)
where:
Base-Base interactions energy: -311.796
where: short stacking energy: -164.900
Base-Backbone interact. energy: -0.151
local terms energy: -236.940928
where:
bonds (distance) C4'-P energy: -52.290
bonds (distance) P-C4' energy: -65.557
flat angles C4'-P-C4' energy: -69.067
flat angles P-C4'-P energy: -29.533
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: 9, replica: 4
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -310.114460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.114460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.114460 (E_RNA)
where:
Base-Base interactions energy: -114.527
where: short stacking energy: -106.818
Base-Backbone interact. energy: 0.345
local terms energy: -195.932613
where:
bonds (distance) C4'-P energy: -57.024
bonds (distance) P-C4' energy: -63.896
flat angles C4'-P-C4' energy: -49.981
flat angles P-C4'-P energy: -23.557
tors. eta vs tors. theta energy: -1.474
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: 6
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -314.073220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.073220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.073220 (E_RNA)
where:
Base-Base interactions energy: -97.231
where: short stacking energy: -80.273
Base-Backbone interact. energy: 2.983
local terms energy: -219.824872
where:
bonds (distance) C4'-P energy: -64.773
bonds (distance) P-C4' energy: -61.137
flat angles C4'-P-C4' energy: -63.947
flat angles P-C4'-P energy: -30.986
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: 1, replica: 2
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1326.760160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.760160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.760160 (E_RNA)
where:
Base-Base interactions energy: -909.928
where: short stacking energy: -380.692
Base-Backbone interact. energy: -0.678
local terms energy: -416.154262
where:
bonds (distance) C4'-P energy: -73.338
bonds (distance) P-C4' energy: -76.635
flat angles C4'-P-C4' energy: -88.898
flat angles P-C4'-P energy: -60.964
tors. eta vs tors. theta energy: -116.320
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: 1
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1241.939789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.939789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.939789 (E_RNA)
where:
Base-Base interactions energy: -845.471
where: short stacking energy: -353.857
Base-Backbone interact. energy: -1.474
local terms energy: -394.995561
where:
bonds (distance) C4'-P energy: -68.101
bonds (distance) P-C4' energy: -75.798
flat angles C4'-P-C4' energy: -84.456
flat angles P-C4'-P energy: -54.635
tors. eta vs tors. theta energy: -112.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -1209.334631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.334631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.334631 (E_RNA)
where:
Base-Base interactions energy: -814.939
where: short stacking energy: -352.379
Base-Backbone interact. energy: -1.505
local terms energy: -392.890509
where:
bonds (distance) C4'-P energy: -73.544
bonds (distance) P-C4' energy: -75.061
flat angles C4'-P-C4' energy: -80.757
flat angles P-C4'-P energy: -54.119
tors. eta vs tors. theta energy: -109.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -1111.036079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.036079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.036079 (E_RNA)
where:
Base-Base interactions energy: -758.541
where: short stacking energy: -314.630
Base-Backbone interact. energy: -1.256
local terms energy: -351.239441
where:
bonds (distance) C4'-P energy: -65.607
bonds (distance) P-C4' energy: -76.851
flat angles C4'-P-C4' energy: -70.607
flat angles P-C4'-P energy: -53.234
tors. eta vs tors. theta energy: -84.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -909.375775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.375775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.375775 (E_RNA)
where:
Base-Base interactions energy: -569.588
where: short stacking energy: -259.416
Base-Backbone interact. energy: -1.572
local terms energy: -338.215474
where:
bonds (distance) C4'-P energy: -71.540
bonds (distance) P-C4' energy: -78.988
flat angles C4'-P-C4' energy: -73.762
flat angles P-C4'-P energy: -49.093
tors. eta vs tors. theta energy: -64.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -922.174124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.174124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.174124 (E_RNA)
where:
Base-Base interactions energy: -595.125
where: short stacking energy: -252.106
Base-Backbone interact. energy: 1.191
local terms energy: -328.239894
where:
bonds (distance) C4'-P energy: -71.853
bonds (distance) P-C4' energy: -70.132
flat angles C4'-P-C4' energy: -56.893
flat angles P-C4'-P energy: -54.634
tors. eta vs tors. theta energy: -74.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -826.382636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.382636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.382636 (E_RNA)
where:
Base-Base interactions energy: -540.204
where: short stacking energy: -235.155
Base-Backbone interact. energy: -0.884
local terms energy: -285.294357
where:
bonds (distance) C4'-P energy: -56.306
bonds (distance) P-C4' energy: -59.413
flat angles C4'-P-C4' energy: -65.934
flat angles P-C4'-P energy: -46.922
tors. eta vs tors. theta energy: -56.720
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: 8
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -583.050110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.050110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.050110 (E_RNA)
where:
Base-Base interactions energy: -326.674
where: short stacking energy: -157.941
Base-Backbone interact. energy: -0.881
local terms energy: -255.495606
where:
bonds (distance) C4'-P energy: -71.128
bonds (distance) P-C4' energy: -74.038
flat angles C4'-P-C4' energy: -57.921
flat angles P-C4'-P energy: -21.765
tors. eta vs tors. theta energy: -30.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -308.786327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.786327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.786327 (E_RNA)
where:
Base-Base interactions energy: -99.373
where: short stacking energy: -60.428
Base-Backbone interact. energy: -1.383
local terms energy: -208.029988
where:
bonds (distance) C4'-P energy: -56.637
bonds (distance) P-C4' energy: -59.619
flat angles C4'-P-C4' energy: -61.546
flat angles P-C4'-P energy: -43.318
tors. eta vs tors. theta energy: 13.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -305.804433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.804433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.804433 (E_RNA)
where:
Base-Base interactions energy: -110.144
where: short stacking energy: -84.223
Base-Backbone interact. energy: 1.505
local terms energy: -197.165388
where:
bonds (distance) C4'-P energy: -53.398
bonds (distance) P-C4' energy: -73.290
flat angles C4'-P-C4' energy: -51.708
flat angles P-C4'-P energy: -33.854
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: 1, replica: 2
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1328.913050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.913050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.913050 (E_RNA)
where:
Base-Base interactions energy: -919.764
where: short stacking energy: -386.505
Base-Backbone interact. energy: -2.075
local terms energy: -407.073278
where:
bonds (distance) C4'-P energy: -82.861
bonds (distance) P-C4' energy: -68.611
flat angles C4'-P-C4' energy: -80.784
flat angles P-C4'-P energy: -54.096
tors. eta vs tors. theta energy: -120.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1257.246312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.246312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.246312 (E_RNA)
where:
Base-Base interactions energy: -843.035
where: short stacking energy: -368.828
Base-Backbone interact. energy: -3.993
local terms energy: -410.218217
where:
bonds (distance) C4'-P energy: -80.029
bonds (distance) P-C4' energy: -64.329
flat angles C4'-P-C4' energy: -87.638
flat angles P-C4'-P energy: -62.902
tors. eta vs tors. theta energy: -115.320
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: 3, replica: 9
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1236.007201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.007201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.007201 (E_RNA)
where:
Base-Base interactions energy: -845.507
where: short stacking energy: -368.163
Base-Backbone interact. energy: -1.452
local terms energy: -389.048071
where:
bonds (distance) C4'-P energy: -67.119
bonds (distance) P-C4' energy: -68.459
flat angles C4'-P-C4' energy: -84.791
flat angles P-C4'-P energy: -53.042
tors. eta vs tors. theta energy: -115.636
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: 7
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1062.356364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.356364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.356364 (E_RNA)
where:
Base-Base interactions energy: -727.823
where: short stacking energy: -292.501
Base-Backbone interact. energy: 0.873
local terms energy: -335.406665
where:
bonds (distance) C4'-P energy: -69.887
bonds (distance) P-C4' energy: -72.137
flat angles C4'-P-C4' energy: -74.909
flat angles P-C4'-P energy: -48.303
tors. eta vs tors. theta energy: -70.172
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: 10
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -962.268810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.268810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.268810 (E_RNA)
where:
Base-Base interactions energy: -636.353
where: short stacking energy: -277.383
Base-Backbone interact. energy: -0.280
local terms energy: -325.636080
where:
bonds (distance) C4'-P energy: -64.470
bonds (distance) P-C4' energy: -70.440
flat angles C4'-P-C4' energy: -74.640
flat angles P-C4'-P energy: -43.644
tors. eta vs tors. theta energy: -72.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -913.371552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.371552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.371552 (E_RNA)
where:
Base-Base interactions energy: -582.986
where: short stacking energy: -262.589
Base-Backbone interact. energy: -0.428
local terms energy: -329.956848
where:
bonds (distance) C4'-P energy: -62.633
bonds (distance) P-C4' energy: -67.542
flat angles C4'-P-C4' energy: -76.656
flat angles P-C4'-P energy: -47.552
tors. eta vs tors. theta energy: -75.574
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: 5
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -857.525679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.525679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.525679 (E_RNA)
where:
Base-Base interactions energy: -557.641
where: short stacking energy: -246.043
Base-Backbone interact. energy: -0.742
local terms energy: -299.142944
where:
bonds (distance) C4'-P energy: -66.433
bonds (distance) P-C4' energy: -58.454
flat angles C4'-P-C4' energy: -63.794
flat angles P-C4'-P energy: -48.343
tors. eta vs tors. theta energy: -62.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -573.183744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.183744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.183744 (E_RNA)
where:
Base-Base interactions energy: -331.263
where: short stacking energy: -162.163
Base-Backbone interact. energy: 2.902
local terms energy: -244.822482
where:
bonds (distance) C4'-P energy: -61.756
bonds (distance) P-C4' energy: -69.154
flat angles C4'-P-C4' energy: -49.794
flat angles P-C4'-P energy: -46.362
tors. eta vs tors. theta energy: -17.757
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: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -312.088032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.088032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.088032 (E_RNA)
where:
Base-Base interactions energy: -101.767
where: short stacking energy: -74.606
Base-Backbone interact. energy: 5.968
local terms energy: -216.288289
where:
bonds (distance) C4'-P energy: -77.060
bonds (distance) P-C4' energy: -60.822
flat angles C4'-P-C4' energy: -57.472
flat angles P-C4'-P energy: -26.111
tors. eta vs tors. theta energy: 5.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -302.639413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.639413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.639413 (E_RNA)
where:
Base-Base interactions energy: -115.025
where: short stacking energy: -92.974
Base-Backbone interact. energy: 0.407
local terms energy: -188.022052
where:
bonds (distance) C4'-P energy: -68.713
bonds (distance) P-C4' energy: -72.921
flat angles C4'-P-C4' energy: -41.295
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: 7.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1324.886371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.886371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.886371 (E_RNA)
where:
Base-Base interactions energy: -925.583
where: short stacking energy: -388.555
Base-Backbone interact. energy: 0.430
local terms energy: -399.733744
where:
bonds (distance) C4'-P energy: -64.814
bonds (distance) P-C4' energy: -71.028
flat angles C4'-P-C4' energy: -88.203
flat angles P-C4'-P energy: -59.163
tors. eta vs tors. theta energy: -116.525
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: 1
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1248.656085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.656085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.656085 (E_RNA)
where:
Base-Base interactions energy: -847.346
where: short stacking energy: -352.203
Base-Backbone interact. energy: -1.657
local terms energy: -399.652923
where:
bonds (distance) C4'-P energy: -72.526
bonds (distance) P-C4' energy: -82.007
flat angles C4'-P-C4' energy: -73.604
flat angles P-C4'-P energy: -56.423
tors. eta vs tors. theta energy: -115.093
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: 9
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1237.691653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.691653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.691653 (E_RNA)
where:
Base-Base interactions energy: -843.916
where: short stacking energy: -362.780
Base-Backbone interact. energy: -1.471
local terms energy: -392.304791
where:
bonds (distance) C4'-P energy: -65.009
bonds (distance) P-C4' energy: -79.697
flat angles C4'-P-C4' energy: -78.300
flat angles P-C4'-P energy: -56.661
tors. eta vs tors. theta energy: -112.637
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: 7
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1075.819324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.819324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.819324 (E_RNA)
where:
Base-Base interactions energy: -722.523
where: short stacking energy: -305.259
Base-Backbone interact. energy: -3.773
local terms energy: -349.523054
where:
bonds (distance) C4'-P energy: -77.723
bonds (distance) P-C4' energy: -71.506
flat angles C4'-P-C4' energy: -71.455
flat angles P-C4'-P energy: -49.747
tors. eta vs tors. theta energy: -79.091
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: 297
Temperature: 1.100000
Total energy: -928.363613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.363613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.363613 (E_RNA)
where:
Base-Base interactions energy: -605.033
where: short stacking energy: -277.526
Base-Backbone interact. energy: -2.509
local terms energy: -320.821667
where:
bonds (distance) C4'-P energy: -68.519
bonds (distance) P-C4' energy: -57.383
flat angles C4'-P-C4' energy: -74.940
flat angles P-C4'-P energy: -36.352
tors. eta vs tors. theta energy: -83.627
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: 5
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -932.612581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.612581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.612581 (E_RNA)
where:
Base-Base interactions energy: -611.237
where: short stacking energy: -272.423
Base-Backbone interact. energy: 1.940
local terms energy: -323.315099
where:
bonds (distance) C4'-P energy: -41.981
bonds (distance) P-C4' energy: -71.435
flat angles C4'-P-C4' energy: -76.833
flat angles P-C4'-P energy: -47.706
tors. eta vs tors. theta energy: -85.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -847.642574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.642574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.642574 (E_RNA)
where:
Base-Base interactions energy: -553.787
where: short stacking energy: -240.526
Base-Backbone interact. energy: -1.412
local terms energy: -292.443723
where:
bonds (distance) C4'-P energy: -61.404
bonds (distance) P-C4' energy: -65.786
flat angles C4'-P-C4' energy: -65.179
flat angles P-C4'-P energy: -45.189
tors. eta vs tors. theta energy: -54.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -574.218108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.218108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.218108 (E_RNA)
where:
Base-Base interactions energy: -359.896
where: short stacking energy: -193.168
Base-Backbone interact. energy: -1.416
local terms energy: -212.906373
where:
bonds (distance) C4'-P energy: -34.892
bonds (distance) P-C4' energy: -59.546
flat angles C4'-P-C4' energy: -49.265
flat angles P-C4'-P energy: -32.234
tors. eta vs tors. theta energy: -36.969
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: 9, replica: 6
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -340.174698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.174698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.174698 (E_RNA)
where:
Base-Base interactions energy: -136.081
where: short stacking energy: -102.907
Base-Backbone interact. energy: 2.509
local terms energy: -206.602133
where:
bonds (distance) C4'-P energy: -64.968
bonds (distance) P-C4' energy: -56.726
flat angles C4'-P-C4' energy: -49.715
flat angles P-C4'-P energy: -39.529
tors. eta vs tors. theta energy: 4.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -302.990173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.990173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.990173 (E_RNA)
where:
Base-Base interactions energy: -117.395
where: short stacking energy: -95.032
Base-Backbone interact. energy: 2.562
local terms energy: -188.157870
where:
bonds (distance) C4'-P energy: -47.965
bonds (distance) P-C4' energy: -57.038
flat angles C4'-P-C4' energy: -53.686
flat angles P-C4'-P energy: -35.650
tors. eta vs tors. theta energy: 6.180
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: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1310.662933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.662933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.662933 (E_RNA)
where:
Base-Base interactions energy: -914.370
where: short stacking energy: -383.450
Base-Backbone interact. energy: 4.195
local terms energy: -400.488483
where:
bonds (distance) C4'-P energy: -72.898
bonds (distance) P-C4' energy: -77.144
flat angles C4'-P-C4' energy: -80.035
flat angles P-C4'-P energy: -54.895
tors. eta vs tors. theta energy: -115.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1247.481071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.481071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.481071 (E_RNA)
where:
Base-Base interactions energy: -853.452
where: short stacking energy: -349.560
Base-Backbone interact. energy: -2.203
local terms energy: -391.826678
where:
bonds (distance) C4'-P energy: -74.437
bonds (distance) P-C4' energy: -69.462
flat angles C4'-P-C4' energy: -84.076
flat angles P-C4'-P energy: -52.072
tors. eta vs tors. theta energy: -111.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1235.157932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.157932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.157932 (E_RNA)
where:
Base-Base interactions energy: -831.431
where: short stacking energy: -371.140
Base-Backbone interact. energy: -1.844
local terms energy: -401.883516
where:
bonds (distance) C4'-P energy: -70.946
bonds (distance) P-C4' energy: -72.814
flat angles C4'-P-C4' energy: -93.046
flat angles P-C4'-P energy: -51.534
tors. eta vs tors. theta energy: -113.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -1087.237616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.237616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.237616 (E_RNA)
where:
Base-Base interactions energy: -736.349
where: short stacking energy: -303.261
Base-Backbone interact. energy: 1.969
local terms energy: -352.858148
where:
bonds (distance) C4'-P energy: -70.946
bonds (distance) P-C4' energy: -75.639
flat angles C4'-P-C4' energy: -77.050
flat angles P-C4'-P energy: -51.412
tors. eta vs tors. theta energy: -77.812
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: 5
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -960.694072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.694072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.694072 (E_RNA)
where:
Base-Base interactions energy: -617.346
where: short stacking energy: -277.917
Base-Backbone interact. energy: 0.865
local terms energy: -344.212989
where:
bonds (distance) C4'-P energy: -71.507
bonds (distance) P-C4' energy: -65.816
flat angles C4'-P-C4' energy: -77.827
flat angles P-C4'-P energy: -50.590
tors. eta vs tors. theta energy: -78.473
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: 10
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -896.147028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.147028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.147028 (E_RNA)
where:
Base-Base interactions energy: -587.335
where: short stacking energy: -258.506
Base-Backbone interact. energy: 1.703
local terms energy: -310.515112
where:
bonds (distance) C4'-P energy: -63.105
bonds (distance) P-C4' energy: -70.724
flat angles C4'-P-C4' energy: -74.349
flat angles P-C4'-P energy: -51.534
tors. eta vs tors. theta energy: -50.803
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: 3
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -829.085710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.085710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.085710 (E_RNA)
where:
Base-Base interactions energy: -547.097
where: short stacking energy: -243.494
Base-Backbone interact. energy: -0.298
local terms energy: -281.690759
where:
bonds (distance) C4'-P energy: -52.702
bonds (distance) P-C4' energy: -63.911
flat angles C4'-P-C4' energy: -74.286
flat angles P-C4'-P energy: -37.381
tors. eta vs tors. theta energy: -53.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -559.298865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.298865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.298865 (E_RNA)
where:
Base-Base interactions energy: -318.037
where: short stacking energy: -162.019
Base-Backbone interact. energy: -0.491
local terms energy: -240.771065
where:
bonds (distance) C4'-P energy: -57.325
bonds (distance) P-C4' energy: -55.392
flat angles C4'-P-C4' energy: -66.372
flat angles P-C4'-P energy: -39.223
tors. eta vs tors. theta energy: -22.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -326.850281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.850281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.850281 (E_RNA)
where:
Base-Base interactions energy: -142.939
where: short stacking energy: -89.319
Base-Backbone interact. energy: 4.081
local terms energy: -187.993013
where:
bonds (distance) C4'-P energy: -64.337
bonds (distance) P-C4' energy: -53.091
flat angles C4'-P-C4' energy: -55.058
flat angles P-C4'-P energy: -28.513
tors. eta vs tors. theta energy: 13.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -305.483131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.483131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.483131 (E_RNA)
where:
Base-Base interactions energy: -111.506
where: short stacking energy: -74.955
Base-Backbone interact. energy: -1.224
local terms energy: -192.752810
where:
bonds (distance) C4'-P energy: -47.444
bonds (distance) P-C4' energy: -77.510
flat angles C4'-P-C4' energy: -51.988
flat angles P-C4'-P energy: -33.707
tors. eta vs tors. theta energy: 17.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1325.248675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.248675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.248675 (E_RNA)
where:
Base-Base interactions energy: -917.341
where: short stacking energy: -378.879
Base-Backbone interact. energy: 0.584
local terms energy: -408.491133
where:
bonds (distance) C4'-P energy: -83.017
bonds (distance) P-C4' energy: -73.853
flat angles C4'-P-C4' energy: -81.042
flat angles P-C4'-P energy: -51.179
tors. eta vs tors. theta energy: -119.400
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: 1
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1258.589825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.589825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.589825 (E_RNA)
where:
Base-Base interactions energy: -858.815
where: short stacking energy: -374.451
Base-Backbone interact. energy: -3.242
local terms energy: -396.533137
where:
bonds (distance) C4'-P energy: -70.738
bonds (distance) P-C4' energy: -64.358
flat angles C4'-P-C4' energy: -88.002
flat angles P-C4'-P energy: -58.469
tors. eta vs tors. theta energy: -114.966
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: 3, replica: 9
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1237.236909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.236909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.236909 (E_RNA)
where:
Base-Base interactions energy: -848.939
where: short stacking energy: -382.537
Base-Backbone interact. energy: 0.223
local terms energy: -388.520967
where:
bonds (distance) C4'-P energy: -53.645
bonds (distance) P-C4' energy: -78.146
flat angles C4'-P-C4' energy: -84.675
flat angles P-C4'-P energy: -51.830
tors. eta vs tors. theta energy: -120.225
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: 7
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1096.984377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.984377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.984377 (E_RNA)
where:
Base-Base interactions energy: -750.327
where: short stacking energy: -300.382
Base-Backbone interact. energy: -2.299
local terms energy: -344.358948
where:
bonds (distance) C4'-P energy: -70.329
bonds (distance) P-C4' energy: -63.967
flat angles C4'-P-C4' energy: -74.962
flat angles P-C4'-P energy: -50.636
tors. eta vs tors. theta energy: -84.465
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: 5, replica: 5
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -982.113165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.113165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.113165 (E_RNA)
where:
Base-Base interactions energy: -673.330
where: short stacking energy: -291.885
Base-Backbone interact. energy: -2.227
local terms energy: -306.556989
where:
bonds (distance) C4'-P energy: -63.115
bonds (distance) P-C4' energy: -54.700
flat angles C4'-P-C4' energy: -58.431
flat angles P-C4'-P energy: -49.333
tors. eta vs tors. theta energy: -80.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -931.020409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.020409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.020409 (E_RNA)
where:
Base-Base interactions energy: -604.147
where: short stacking energy: -268.254
Base-Backbone interact. energy: 3.521
local terms energy: -330.393934
where:
bonds (distance) C4'-P energy: -73.859
bonds (distance) P-C4' energy: -76.713
flat angles C4'-P-C4' energy: -61.001
flat angles P-C4'-P energy: -35.920
tors. eta vs tors. theta energy: -82.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -854.102654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.102654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.102654 (E_RNA)
where:
Base-Base interactions energy: -539.884
where: short stacking energy: -234.063
Base-Backbone interact. energy: -0.232
local terms energy: -313.987162
where:
bonds (distance) C4'-P energy: -68.910
bonds (distance) P-C4' energy: -63.528
flat angles C4'-P-C4' energy: -62.169
flat angles P-C4'-P energy: -48.401
tors. eta vs tors. theta energy: -70.979
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: 8
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -544.278512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.278512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.278512 (E_RNA)
where:
Base-Base interactions energy: -324.708
where: short stacking energy: -163.363
Base-Backbone interact. energy: -1.608
local terms energy: -217.962776
where:
bonds (distance) C4'-P energy: -47.715
bonds (distance) P-C4' energy: -57.897
flat angles C4'-P-C4' energy: -46.203
flat angles P-C4'-P energy: -40.221
tors. eta vs tors. theta energy: -25.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -372.762981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.762981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.762981 (E_RNA)
where:
Base-Base interactions energy: -167.573
where: short stacking energy: -95.143
Base-Backbone interact. energy: -1.476
local terms energy: -203.714277
where:
bonds (distance) C4'-P energy: -62.096
bonds (distance) P-C4' energy: -57.285
flat angles C4'-P-C4' energy: -51.683
flat angles P-C4'-P energy: -31.350
tors. eta vs tors. theta energy: -1.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -301.380622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.380622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.380622 (E_RNA)
where:
Base-Base interactions energy: -89.234
where: short stacking energy: -82.305
Base-Backbone interact. energy: 2.583
local terms energy: -214.729637
where:
bonds (distance) C4'-P energy: -59.180
bonds (distance) P-C4' energy: -65.549
flat angles C4'-P-C4' energy: -55.618
flat angles P-C4'-P energy: -26.685
tors. eta vs tors. theta energy: -7.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1305.867981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.867981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.867981 (E_RNA)
where:
Base-Base interactions energy: -890.310
where: short stacking energy: -376.269
Base-Backbone interact. energy: -0.085
local terms energy: -415.473563
where:
bonds (distance) C4'-P energy: -73.019
bonds (distance) P-C4' energy: -82.807
flat angles C4'-P-C4' energy: -85.323
flat angles P-C4'-P energy: -55.244
tors. eta vs tors. theta energy: -119.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1256.998576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.998576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.998576 (E_RNA)
where:
Base-Base interactions energy: -857.438
where: short stacking energy: -372.150
Base-Backbone interact. energy: -2.785
local terms energy: -396.776104
where:
bonds (distance) C4'-P energy: -64.365
bonds (distance) P-C4' energy: -75.370
flat angles C4'-P-C4' energy: -80.244
flat angles P-C4'-P energy: -60.614
tors. eta vs tors. theta energy: -116.184
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: 3, replica: 9
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1254.667044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.667044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.667044 (E_RNA)
where:
Base-Base interactions energy: -861.421
where: short stacking energy: -369.466
Base-Backbone interact. energy: 0.746
local terms energy: -393.992508
where:
bonds (distance) C4'-P energy: -73.990
bonds (distance) P-C4' energy: -66.600
flat angles C4'-P-C4' energy: -86.769
flat angles P-C4'-P energy: -49.815
tors. eta vs tors. theta energy: -116.818
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: 4, replica: 7
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1107.437550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.437550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.437550 (E_RNA)
where:
Base-Base interactions energy: -763.338
where: short stacking energy: -313.846
Base-Backbone interact. energy: -1.753
local terms energy: -342.347333
where:
bonds (distance) C4'-P energy: -76.269
bonds (distance) P-C4' energy: -68.855
flat angles C4'-P-C4' energy: -78.155
flat angles P-C4'-P energy: -33.637
tors. eta vs tors. theta energy: -85.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -975.656039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.656039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.656039 (E_RNA)
where:
Base-Base interactions energy: -639.398
where: short stacking energy: -294.095
Base-Backbone interact. energy: -0.810
local terms energy: -335.448543
where:
bonds (distance) C4'-P energy: -63.504
bonds (distance) P-C4' energy: -70.095
flat angles C4'-P-C4' energy: -76.784
flat angles P-C4'-P energy: -35.873
tors. eta vs tors. theta energy: -89.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -896.132440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.132440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.132440 (E_RNA)
where:
Base-Base interactions energy: -592.361
where: short stacking energy: -236.151
Base-Backbone interact. energy: 1.183
local terms energy: -304.954943
where:
bonds (distance) C4'-P energy: -65.743
bonds (distance) P-C4' energy: -67.241
flat angles C4'-P-C4' energy: -65.305
flat angles P-C4'-P energy: -44.956
tors. eta vs tors. theta energy: -61.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -827.892614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.892614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.892614 (E_RNA)
where:
Base-Base interactions energy: -507.452
where: short stacking energy: -227.300
Base-Backbone interact. energy: -1.288
local terms energy: -319.152622
where:
bonds (distance) C4'-P energy: -69.138
bonds (distance) P-C4' energy: -77.041
flat angles C4'-P-C4' energy: -64.142
flat angles P-C4'-P energy: -49.305
tors. eta vs tors. theta energy: -59.527
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: 8, replica: 8
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -605.276925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.276925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.276925 (E_RNA)
where:
Base-Base interactions energy: -352.047
where: short stacking energy: -169.575
Base-Backbone interact. energy: 0.036
local terms energy: -253.265831
where:
bonds (distance) C4'-P energy: -56.813
bonds (distance) P-C4' energy: -75.158
flat angles C4'-P-C4' energy: -62.957
flat angles P-C4'-P energy: -27.499
tors. eta vs tors. theta energy: -30.838
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: 4
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -366.781400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.781400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.781400 (E_RNA)
where:
Base-Base interactions energy: -156.593
where: short stacking energy: -100.744
Base-Backbone interact. energy: -0.032
local terms energy: -210.156398
where:
bonds (distance) C4'-P energy: -72.508
bonds (distance) P-C4' energy: -55.017
flat angles C4'-P-C4' energy: -57.096
flat angles P-C4'-P energy: -31.072
tors. eta vs tors. theta energy: 5.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -292.447256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.447256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.447256 (E_RNA)
where:
Base-Base interactions energy: -95.626
where: short stacking energy: -92.556
Base-Backbone interact. energy: 0.479
local terms energy: -197.300903
where:
bonds (distance) C4'-P energy: -66.929
bonds (distance) P-C4' energy: -64.827
flat angles C4'-P-C4' energy: -50.288
flat angles P-C4'-P energy: -23.329
tors. eta vs tors. theta energy: 8.073
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: 1, replica: 2
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1329.094753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.094753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.094753 (E_RNA)
where:
Base-Base interactions energy: -932.781
where: short stacking energy: -403.868
Base-Backbone interact. energy: -2.346
local terms energy: -393.967515
where:
bonds (distance) C4'-P energy: -63.366
bonds (distance) P-C4' energy: -80.599
flat angles C4'-P-C4' energy: -82.505
flat angles P-C4'-P energy: -56.225
tors. eta vs tors. theta energy: -111.272
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: 2, replica: 1
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1273.771505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.771505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.771505 (E_RNA)
where:
Base-Base interactions energy: -865.368
where: short stacking energy: -353.283
Base-Backbone interact. energy: -2.941
local terms energy: -405.462130
where:
bonds (distance) C4'-P energy: -70.673
bonds (distance) P-C4' energy: -67.214
flat angles C4'-P-C4' energy: -80.786
flat angles P-C4'-P energy: -67.055
tors. eta vs tors. theta energy: -119.735
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: 9
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1229.766696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.766696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.766696 (E_RNA)
where:
Base-Base interactions energy: -829.780
where: short stacking energy: -345.049
Base-Backbone interact. energy: -0.708
local terms energy: -399.279095
where:
bonds (distance) C4'-P energy: -66.790
bonds (distance) P-C4' energy: -80.032
flat angles C4'-P-C4' energy: -83.534
flat angles P-C4'-P energy: -56.419
tors. eta vs tors. theta energy: -112.505
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: 301
Temperature: 1.050000
Total energy: -1092.281661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.281661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.281661 (E_RNA)
where:
Base-Base interactions energy: -714.568
where: short stacking energy: -280.186
Base-Backbone interact. energy: -1.231
local terms energy: -376.483087
where:
bonds (distance) C4'-P energy: -72.803
bonds (distance) P-C4' energy: -83.330
flat angles C4'-P-C4' energy: -79.618
flat angles P-C4'-P energy: -54.767
tors. eta vs tors. theta energy: -85.966
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: 5, replica: 10
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -955.991306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.991306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.991306 (E_RNA)
where:
Base-Base interactions energy: -627.613
where: short stacking energy: -283.611
Base-Backbone interact. energy: -1.989
local terms energy: -326.389028
where:
bonds (distance) C4'-P energy: -60.522
bonds (distance) P-C4' energy: -75.279
flat angles C4'-P-C4' energy: -68.635
flat angles P-C4'-P energy: -42.621
tors. eta vs tors. theta energy: -79.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -907.989775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.989775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.989775 (E_RNA)
where:
Base-Base interactions energy: -597.908
where: short stacking energy: -253.175
Base-Backbone interact. energy: -0.902
local terms energy: -309.179744
where:
bonds (distance) C4'-P energy: -60.318
bonds (distance) P-C4' energy: -60.636
flat angles C4'-P-C4' energy: -80.696
flat angles P-C4'-P energy: -37.534
tors. eta vs tors. theta energy: -69.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -825.328513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.328513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.328513 (E_RNA)
where:
Base-Base interactions energy: -516.694
where: short stacking energy: -227.045
Base-Backbone interact. energy: 0.120
local terms energy: -308.754402
where:
bonds (distance) C4'-P energy: -69.605
bonds (distance) P-C4' energy: -71.311
flat angles C4'-P-C4' energy: -77.748
flat angles P-C4'-P energy: -29.063
tors. eta vs tors. theta energy: -61.027
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: 8
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -569.590396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.590396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.590396 (E_RNA)
where:
Base-Base interactions energy: -326.004
where: short stacking energy: -155.661
Base-Backbone interact. energy: -1.764
local terms energy: -241.822496
where:
bonds (distance) C4'-P energy: -65.277
bonds (distance) P-C4' energy: -56.519
flat angles C4'-P-C4' energy: -59.298
flat angles P-C4'-P energy: -42.597
tors. eta vs tors. theta energy: -18.132
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: 4
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -311.497425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.497425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.497425 (E_RNA)
where:
Base-Base interactions energy: -111.396
where: short stacking energy: -103.719
Base-Backbone interact. energy: 2.369
local terms energy: -202.470896
where:
bonds (distance) C4'-P energy: -55.025
bonds (distance) P-C4' energy: -50.003
flat angles C4'-P-C4' energy: -63.632
flat angles P-C4'-P energy: -35.852
tors. eta vs tors. theta energy: 2.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -286.116930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.116930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.116930 (E_RNA)
where:
Base-Base interactions energy: -108.952
where: short stacking energy: -94.452
Base-Backbone interact. energy: -2.476
local terms energy: -174.688893
where:
bonds (distance) C4'-P energy: -49.745
bonds (distance) P-C4' energy: -66.579
flat angles C4'-P-C4' energy: -44.144
flat angles P-C4'-P energy: -27.446
tors. eta vs tors. theta energy: 13.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1335.097156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.097156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.097156 (E_RNA)
where:
Base-Base interactions energy: -933.774
where: short stacking energy: -389.229
Base-Backbone interact. energy: -0.850
local terms energy: -400.473857
where:
bonds (distance) C4'-P energy: -62.378
bonds (distance) P-C4' energy: -72.019
flat angles C4'-P-C4' energy: -91.354
flat angles P-C4'-P energy: -52.239
tors. eta vs tors. theta energy: -122.485
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: 1
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1250.296331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.296331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.296331 (E_RNA)
where:
Base-Base interactions energy: -857.933
where: short stacking energy: -373.731
Base-Backbone interact. energy: -2.569
local terms energy: -389.793804
where:
bonds (distance) C4'-P energy: -59.161
bonds (distance) P-C4' energy: -70.372
flat angles C4'-P-C4' energy: -81.007
flat angles P-C4'-P energy: -61.740
tors. eta vs tors. theta energy: -117.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1228.761135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.761135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.761135 (E_RNA)
where:
Base-Base interactions energy: -834.920
where: short stacking energy: -353.950
Base-Backbone interact. energy: -2.481
local terms energy: -391.359575
where:
bonds (distance) C4'-P energy: -78.395
bonds (distance) P-C4' energy: -71.192
flat angles C4'-P-C4' energy: -78.192
flat angles P-C4'-P energy: -54.575
tors. eta vs tors. theta energy: -109.005
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: 7
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1091.317321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.317321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.317321 (E_RNA)
where:
Base-Base interactions energy: -764.453
where: short stacking energy: -313.190
Base-Backbone interact. energy: -1.546
local terms energy: -325.317613
where:
bonds (distance) C4'-P energy: -57.055
bonds (distance) P-C4' energy: -72.175
flat angles C4'-P-C4' energy: -59.913
flat angles P-C4'-P energy: -44.487
tors. eta vs tors. theta energy: -91.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -960.102893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.102893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.102893 (E_RNA)
where:
Base-Base interactions energy: -628.880
where: short stacking energy: -292.747
Base-Backbone interact. energy: 0.185
local terms energy: -331.408258
where:
bonds (distance) C4'-P energy: -64.799
bonds (distance) P-C4' energy: -71.439
flat angles C4'-P-C4' energy: -67.214
flat angles P-C4'-P energy: -44.284
tors. eta vs tors. theta energy: -83.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -898.356541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.356541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.356541 (E_RNA)
where:
Base-Base interactions energy: -576.713
where: short stacking energy: -249.589
Base-Backbone interact. energy: -0.511
local terms energy: -321.132268
where:
bonds (distance) C4'-P energy: -64.265
bonds (distance) P-C4' energy: -68.192
flat angles C4'-P-C4' energy: -69.266
flat angles P-C4'-P energy: -45.209
tors. eta vs tors. theta energy: -74.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -749.830053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.830053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.830053 (E_RNA)
where:
Base-Base interactions energy: -461.642
where: short stacking energy: -213.605
Base-Backbone interact. energy: 0.951
local terms energy: -289.139339
where:
bonds (distance) C4'-P energy: -66.044
bonds (distance) P-C4' energy: -67.323
flat angles C4'-P-C4' energy: -64.588
flat angles P-C4'-P energy: -43.268
tors. eta vs tors. theta energy: -47.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -574.266126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.266126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.266126 (E_RNA)
where:
Base-Base interactions energy: -326.523
where: short stacking energy: -166.709
Base-Backbone interact. energy: 4.033
local terms energy: -251.775173
where:
bonds (distance) C4'-P energy: -69.520
bonds (distance) P-C4' energy: -58.587
flat angles C4'-P-C4' energy: -55.771
flat angles P-C4'-P energy: -42.677
tors. eta vs tors. theta energy: -25.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -321.250329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.250329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.250329 (E_RNA)
where:
Base-Base interactions energy: -131.778
where: short stacking energy: -86.632
Base-Backbone interact. energy: 0.558
local terms energy: -190.030132
where:
bonds (distance) C4'-P energy: -66.380
bonds (distance) P-C4' energy: -54.743
flat angles C4'-P-C4' energy: -58.420
flat angles P-C4'-P energy: -25.316
tors. eta vs tors. theta energy: 14.828
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: 6
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -313.642598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.642598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.642598 (E_RNA)
where:
Base-Base interactions energy: -121.976
where: short stacking energy: -95.590
Base-Backbone interact. energy: 1.099
local terms energy: -192.765909
where:
bonds (distance) C4'-P energy: -57.818
bonds (distance) P-C4' energy: -74.685
flat angles C4'-P-C4' energy: -47.884
flat angles P-C4'-P energy: -18.860
tors. eta vs tors. theta energy: 6.482
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: 1, replica: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1336.348586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.348586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.348586 (E_RNA)
where:
Base-Base interactions energy: -914.652
where: short stacking energy: -388.988
Base-Backbone interact. energy: -1.011
local terms energy: -420.685838
where:
bonds (distance) C4'-P energy: -71.837
bonds (distance) P-C4' energy: -77.642
flat angles C4'-P-C4' energy: -89.326
flat angles P-C4'-P energy: -63.099
tors. eta vs tors. theta energy: -118.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1233.615611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.615611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.615611 (E_RNA)
where:
Base-Base interactions energy: -835.523
where: short stacking energy: -362.079
Base-Backbone interact. energy: -0.337
local terms energy: -397.755905
where:
bonds (distance) C4'-P energy: -76.205
bonds (distance) P-C4' energy: -79.955
flat angles C4'-P-C4' energy: -80.915
flat angles P-C4'-P energy: -54.497
tors. eta vs tors. theta energy: -106.183
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: 1
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -1221.959330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.959330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.959330 (E_RNA)
where:
Base-Base interactions energy: -817.335
where: short stacking energy: -357.789
Base-Backbone interact. energy: -2.854
local terms energy: -401.770534
where:
bonds (distance) C4'-P energy: -71.495
bonds (distance) P-C4' energy: -77.387
flat angles C4'-P-C4' energy: -79.882
flat angles P-C4'-P energy: -58.721
tors. eta vs tors. theta energy: -114.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1095.327018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.327018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.327018 (E_RNA)
where:
Base-Base interactions energy: -752.932
where: short stacking energy: -308.236
Base-Backbone interact. energy: -3.254
local terms energy: -339.140747
where:
bonds (distance) C4'-P energy: -66.653
bonds (distance) P-C4' energy: -61.547
flat angles C4'-P-C4' energy: -78.729
flat angles P-C4'-P energy: -43.499
tors. eta vs tors. theta energy: -88.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -950.295241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.295241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.295241 (E_RNA)
where:
Base-Base interactions energy: -634.378
where: short stacking energy: -282.185
Base-Backbone interact. energy: -0.958
local terms energy: -314.959159
where:
bonds (distance) C4'-P energy: -61.381
bonds (distance) P-C4' energy: -66.467
flat angles C4'-P-C4' energy: -68.368
flat angles P-C4'-P energy: -41.355
tors. eta vs tors. theta energy: -77.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -892.291926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.291926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.291926 (E_RNA)
where:
Base-Base interactions energy: -597.728
where: short stacking energy: -254.448
Base-Backbone interact. energy: -2.075
local terms energy: -292.488273
where:
bonds (distance) C4'-P energy: -52.410
bonds (distance) P-C4' energy: -64.434
flat angles C4'-P-C4' energy: -71.056
flat angles P-C4'-P energy: -40.283
tors. eta vs tors. theta energy: -64.305
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: 3
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -756.286783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.286783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.286783 (E_RNA)
where:
Base-Base interactions energy: -481.087
where: short stacking energy: -224.283
Base-Backbone interact. energy: -1.823
local terms energy: -273.377025
where:
bonds (distance) C4'-P energy: -49.084
bonds (distance) P-C4' energy: -59.775
flat angles C4'-P-C4' energy: -67.803
flat angles P-C4'-P energy: -41.156
tors. eta vs tors. theta energy: -55.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -589.873240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.873240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.873240 (E_RNA)
where:
Base-Base interactions energy: -347.755
where: short stacking energy: -164.759
Base-Backbone interact. energy: -0.317
local terms energy: -241.801735
where:
bonds (distance) C4'-P energy: -58.548
bonds (distance) P-C4' energy: -61.544
flat angles C4'-P-C4' energy: -54.816
flat angles P-C4'-P energy: -46.381
tors. eta vs tors. theta energy: -20.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -310.277879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.277879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.277879 (E_RNA)
where:
Base-Base interactions energy: -116.249
where: short stacking energy: -98.518
Base-Backbone interact. energy: 6.468
local terms energy: -200.496387
where:
bonds (distance) C4'-P energy: -60.305
bonds (distance) P-C4' energy: -66.135
flat angles C4'-P-C4' energy: -45.851
flat angles P-C4'-P energy: -25.690
tors. eta vs tors. theta energy: -2.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -271.184426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.184426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.184426 (E_RNA)
where:
Base-Base interactions energy: -87.241
where: short stacking energy: -67.905
Base-Backbone interact. energy: 0.420
local terms energy: -184.362934
where:
bonds (distance) C4'-P energy: -65.329
bonds (distance) P-C4' energy: -72.567
flat angles C4'-P-C4' energy: -42.257
flat angles P-C4'-P energy: -31.808
tors. eta vs tors. theta energy: 27.599
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: 304
Temperature: 0.900000
Total energy: -1327.027595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.027595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.027595 (E_RNA)
where:
Base-Base interactions energy: -923.011
where: short stacking energy: -384.526
Base-Backbone interact. energy: -1.125
local terms energy: -402.891842
where:
bonds (distance) C4'-P energy: -76.716
bonds (distance) P-C4' energy: -74.317
flat angles C4'-P-C4' energy: -81.163
flat angles P-C4'-P energy: -51.874
tors. eta vs tors. theta energy: -118.823
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: 9
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1257.649431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.649431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.649431 (E_RNA)
where:
Base-Base interactions energy: -868.820
where: short stacking energy: -379.030
Base-Backbone interact. energy: 0.291
local terms energy: -389.120436
where:
bonds (distance) C4'-P energy: -73.589
bonds (distance) P-C4' energy: -70.833
flat angles C4'-P-C4' energy: -80.554
flat angles P-C4'-P energy: -55.722
tors. eta vs tors. theta energy: -108.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1228.463311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.463311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.463311 (E_RNA)
where:
Base-Base interactions energy: -832.457
where: short stacking energy: -360.297
Base-Backbone interact. energy: -2.591
local terms energy: -393.415105
where:
bonds (distance) C4'-P energy: -62.611
bonds (distance) P-C4' energy: -68.538
flat angles C4'-P-C4' energy: -88.853
flat angles P-C4'-P energy: -55.956
tors. eta vs tors. theta energy: -117.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1097.823846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.823846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.823846 (E_RNA)
where:
Base-Base interactions energy: -745.464
where: short stacking energy: -324.097
Base-Backbone interact. energy: -1.482
local terms energy: -350.877754
where:
bonds (distance) C4'-P energy: -70.797
bonds (distance) P-C4' energy: -68.180
flat angles C4'-P-C4' energy: -76.121
flat angles P-C4'-P energy: -48.617
tors. eta vs tors. theta energy: -87.163
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: 304
Temperature: 1.100000
Total energy: -977.569666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.569666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.569666 (E_RNA)
where:
Base-Base interactions energy: -628.221
where: short stacking energy: -265.181
Base-Backbone interact. energy: -1.474
local terms energy: -347.874004
where:
bonds (distance) C4'-P energy: -71.133
bonds (distance) P-C4' energy: -70.440
flat angles C4'-P-C4' energy: -69.904
flat angles P-C4'-P energy: -51.486
tors. eta vs tors. theta energy: -84.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -899.645401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.645401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.645401 (E_RNA)
where:
Base-Base interactions energy: -573.069
where: short stacking energy: -251.639
Base-Backbone interact. energy: -0.966
local terms energy: -325.610491
where:
bonds (distance) C4'-P energy: -58.930
bonds (distance) P-C4' energy: -76.699
flat angles C4'-P-C4' energy: -74.996
flat angles P-C4'-P energy: -44.173
tors. eta vs tors. theta energy: -70.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -749.607440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.607440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.607440 (E_RNA)
where:
Base-Base interactions energy: -456.329
where: short stacking energy: -200.484
Base-Backbone interact. energy: -2.001
local terms energy: -291.276734
where:
bonds (distance) C4'-P energy: -66.083
bonds (distance) P-C4' energy: -63.948
flat angles C4'-P-C4' energy: -66.459
flat angles P-C4'-P energy: -55.917
tors. eta vs tors. theta energy: -38.870
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: 8
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -617.465948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.465948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.465948 (E_RNA)
where:
Base-Base interactions energy: -375.091
where: short stacking energy: -181.820
Base-Backbone interact. energy: -0.730
local terms energy: -241.645018
where:
bonds (distance) C4'-P energy: -50.751
bonds (distance) P-C4' energy: -66.242
flat angles C4'-P-C4' energy: -58.986
flat angles P-C4'-P energy: -41.948
tors. eta vs tors. theta energy: -23.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -329.119448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.119448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.119448 (E_RNA)
where:
Base-Base interactions energy: -124.485
where: short stacking energy: -108.602
Base-Backbone interact. energy: 0.475
local terms energy: -205.109404
where:
bonds (distance) C4'-P energy: -59.680
bonds (distance) P-C4' energy: -49.401
flat angles C4'-P-C4' energy: -55.133
flat angles P-C4'-P energy: -35.268
tors. eta vs tors. theta energy: -5.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -301.291675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.291675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.291675 (E_RNA)
where:
Base-Base interactions energy: -110.132
where: short stacking energy: -68.733
Base-Backbone interact. energy: -0.760
local terms energy: -190.399364
where:
bonds (distance) C4'-P energy: -67.813
bonds (distance) P-C4' energy: -53.216
flat angles C4'-P-C4' energy: -55.098
flat angles P-C4'-P energy: -31.524
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: 1, replica: 2
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1317.897203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.897203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.897203 (E_RNA)
where:
Base-Base interactions energy: -907.914
where: short stacking energy: -394.730
Base-Backbone interact. energy: -0.129
local terms energy: -409.853861
where:
bonds (distance) C4'-P energy: -82.063
bonds (distance) P-C4' energy: -77.637
flat angles C4'-P-C4' energy: -78.338
flat angles P-C4'-P energy: -52.394
tors. eta vs tors. theta energy: -119.421
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: 9
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1255.000289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.000289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.000289 (E_RNA)
where:
Base-Base interactions energy: -851.281
where: short stacking energy: -358.381
Base-Backbone interact. energy: -1.374
local terms energy: -402.346089
where:
bonds (distance) C4'-P energy: -76.079
bonds (distance) P-C4' energy: -76.306
flat angles C4'-P-C4' energy: -82.886
flat angles P-C4'-P energy: -52.910
tors. eta vs tors. theta energy: -114.166
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: 305
Temperature: 1.000000
Total energy: -1244.550152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.550152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.550152 (E_RNA)
where:
Base-Base interactions energy: -852.188
where: short stacking energy: -359.024
Base-Backbone interact. energy: -0.697
local terms energy: -391.665263
where:
bonds (distance) C4'-P energy: -67.637
bonds (distance) P-C4' energy: -61.603
flat angles C4'-P-C4' energy: -81.398
flat angles P-C4'-P energy: -58.517
tors. eta vs tors. theta energy: -122.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1109.476534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.476534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.476534 (E_RNA)
where:
Base-Base interactions energy: -755.516
where: short stacking energy: -319.617
Base-Backbone interact. energy: -1.260
local terms energy: -352.700136
where:
bonds (distance) C4'-P energy: -55.085
bonds (distance) P-C4' energy: -79.157
flat angles C4'-P-C4' energy: -76.212
flat angles P-C4'-P energy: -49.983
tors. eta vs tors. theta energy: -92.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -930.907404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.907404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.907404 (E_RNA)
where:
Base-Base interactions energy: -611.950
where: short stacking energy: -264.289
Base-Backbone interact. energy: -0.486
local terms energy: -318.471434
where:
bonds (distance) C4'-P energy: -76.316
bonds (distance) P-C4' energy: -61.383
flat angles C4'-P-C4' energy: -66.996
flat angles P-C4'-P energy: -44.480
tors. eta vs tors. theta energy: -69.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -905.592518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.592518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.592518 (E_RNA)
where:
Base-Base interactions energy: -600.402
where: short stacking energy: -257.699
Base-Backbone interact. energy: 0.393
local terms energy: -305.584172
where:
bonds (distance) C4'-P energy: -65.720
bonds (distance) P-C4' energy: -64.464
flat angles C4'-P-C4' energy: -66.195
flat angles P-C4'-P energy: -42.209
tors. eta vs tors. theta energy: -66.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -779.530043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.530043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.530043 (E_RNA)
where:
Base-Base interactions energy: -469.782
where: short stacking energy: -215.173
Base-Backbone interact. energy: -0.847
local terms energy: -308.901197
where:
bonds (distance) C4'-P energy: -78.137
bonds (distance) P-C4' energy: -65.960
flat angles C4'-P-C4' energy: -65.699
flat angles P-C4'-P energy: -51.516
tors. eta vs tors. theta energy: -47.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -570.683443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.683443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.683443 (E_RNA)
where:
Base-Base interactions energy: -302.546
where: short stacking energy: -151.082
Base-Backbone interact. energy: 1.748
local terms energy: -269.885434
where:
bonds (distance) C4'-P energy: -45.980
bonds (distance) P-C4' energy: -59.485
flat angles C4'-P-C4' energy: -69.183
flat angles P-C4'-P energy: -61.077
tors. eta vs tors. theta energy: -34.160
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: 4
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -316.365575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.365575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.365575 (E_RNA)
where:
Base-Base interactions energy: -122.305
where: short stacking energy: -98.592
Base-Backbone interact. energy: -2.018
local terms energy: -192.042893
where:
bonds (distance) C4'-P energy: -61.803
bonds (distance) P-C4' energy: -59.168
flat angles C4'-P-C4' energy: -45.633
flat angles P-C4'-P energy: -37.026
tors. eta vs tors. theta energy: 11.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -303.951089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.951089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.951089 (E_RNA)
where:
Base-Base interactions energy: -127.622
where: short stacking energy: -107.693
Base-Backbone interact. energy: -0.117
local terms energy: -176.212084
where:
bonds (distance) C4'-P energy: -44.354
bonds (distance) P-C4' energy: -52.010
flat angles C4'-P-C4' energy: -42.093
flat angles P-C4'-P energy: -33.716
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: 306
Temperature: 0.900000
Total energy: -1314.334853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.334853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.334853 (E_RNA)
where:
Base-Base interactions energy: -902.709
where: short stacking energy: -376.600
Base-Backbone interact. energy: -1.108
local terms energy: -410.518286
where:
bonds (distance) C4'-P energy: -71.137
bonds (distance) P-C4' energy: -84.221
flat angles C4'-P-C4' energy: -79.043
flat angles P-C4'-P energy: -62.959
tors. eta vs tors. theta energy: -113.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1281.729257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.729257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.729257 (E_RNA)
where:
Base-Base interactions energy: -861.624
where: short stacking energy: -375.448
Base-Backbone interact. energy: -1.514
local terms energy: -418.591000
where:
bonds (distance) C4'-P energy: -82.858
bonds (distance) P-C4' energy: -82.171
flat angles C4'-P-C4' energy: -80.221
flat angles P-C4'-P energy: -55.150
tors. eta vs tors. theta energy: -118.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1208.811824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.811824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.811824 (E_RNA)
where:
Base-Base interactions energy: -840.367
where: short stacking energy: -351.480
Base-Backbone interact. energy: -1.306
local terms energy: -367.139323
where:
bonds (distance) C4'-P energy: -66.937
bonds (distance) P-C4' energy: -53.340
flat angles C4'-P-C4' energy: -80.110
flat angles P-C4'-P energy: -54.191
tors. eta vs tors. theta energy: -112.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1138.329861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.329861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.329861 (E_RNA)
where:
Base-Base interactions energy: -781.263
where: short stacking energy: -304.953
Base-Backbone interact. energy: -2.282
local terms energy: -354.784650
where:
bonds (distance) C4'-P energy: -61.278
bonds (distance) P-C4' energy: -71.314
flat angles C4'-P-C4' energy: -83.872
flat angles P-C4'-P energy: -47.880
tors. eta vs tors. theta energy: -90.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -937.285704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.285704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.285704 (E_RNA)
where:
Base-Base interactions energy: -596.672
where: short stacking energy: -251.231
Base-Backbone interact. energy: -2.673
local terms energy: -337.940679
where:
bonds (distance) C4'-P energy: -74.941
bonds (distance) P-C4' energy: -61.290
flat angles C4'-P-C4' energy: -71.914
flat angles P-C4'-P energy: -48.793
tors. eta vs tors. theta energy: -81.002
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: 10
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -929.780662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.780662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.780662 (E_RNA)
where:
Base-Base interactions energy: -616.034
where: short stacking energy: -273.901
Base-Backbone interact. energy: -0.397
local terms energy: -313.349323
where:
bonds (distance) C4'-P energy: -53.071
bonds (distance) P-C4' energy: -58.285
flat angles C4'-P-C4' energy: -77.736
flat angles P-C4'-P energy: -46.533
tors. eta vs tors. theta energy: -77.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -731.644464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.644464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.644464 (E_RNA)
where:
Base-Base interactions energy: -440.070
where: short stacking energy: -218.684
Base-Backbone interact. energy: 0.793
local terms energy: -292.366868
where:
bonds (distance) C4'-P energy: -67.615
bonds (distance) P-C4' energy: -61.203
flat angles C4'-P-C4' energy: -68.447
flat angles P-C4'-P energy: -41.958
tors. eta vs tors. theta energy: -53.144
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: 8
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -586.219158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.219158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.219158 (E_RNA)
where:
Base-Base interactions energy: -335.273
where: short stacking energy: -151.045
Base-Backbone interact. energy: -1.229
local terms energy: -249.717179
where:
bonds (distance) C4'-P energy: -60.017
bonds (distance) P-C4' energy: -66.300
flat angles C4'-P-C4' energy: -70.346
flat angles P-C4'-P energy: -33.899
tors. eta vs tors. theta energy: -19.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -407.959724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.959724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.959724 (E_RNA)
where:
Base-Base interactions energy: -198.501
where: short stacking energy: -118.219
Base-Backbone interact. energy: 0.832
local terms energy: -210.290387
where:
bonds (distance) C4'-P energy: -55.404
bonds (distance) P-C4' energy: -50.075
flat angles C4'-P-C4' energy: -56.875
flat angles P-C4'-P energy: -21.378
tors. eta vs tors. theta energy: -26.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -304.141829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.141829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.141829 (E_RNA)
where:
Base-Base interactions energy: -98.433
where: short stacking energy: -63.772
Base-Backbone interact. energy: 3.140
local terms energy: -208.848947
where:
bonds (distance) C4'-P energy: -57.699
bonds (distance) P-C4' energy: -61.489
flat angles C4'-P-C4' energy: -60.039
flat angles P-C4'-P energy: -34.809
tors. eta vs tors. theta energy: 5.186
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: 307
Temperature: 0.900000
Total energy: -1333.322109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.322109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.322109 (E_RNA)
where:
Base-Base interactions energy: -932.413
where: short stacking energy: -390.638
Base-Backbone interact. energy: -0.825
local terms energy: -400.084083
where:
bonds (distance) C4'-P energy: -66.250
bonds (distance) P-C4' energy: -74.902
flat angles C4'-P-C4' energy: -85.948
flat angles P-C4'-P energy: -61.121
tors. eta vs tors. theta energy: -111.863
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: 9
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1278.574970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.574970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.574970 (E_RNA)
where:
Base-Base interactions energy: -872.267
where: short stacking energy: -368.148
Base-Backbone interact. energy: -3.548
local terms energy: -402.759815
where:
bonds (distance) C4'-P energy: -79.000
bonds (distance) P-C4' energy: -73.876
flat angles C4'-P-C4' energy: -77.885
flat angles P-C4'-P energy: -52.670
tors. eta vs tors. theta energy: -119.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1207.142312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.142312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.142312 (E_RNA)
where:
Base-Base interactions energy: -818.760
where: short stacking energy: -341.329
Base-Backbone interact. energy: -3.607
local terms energy: -384.774832
where:
bonds (distance) C4'-P energy: -68.114
bonds (distance) P-C4' energy: -64.684
flat angles C4'-P-C4' energy: -85.412
flat angles P-C4'-P energy: -53.650
tors. eta vs tors. theta energy: -112.916
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: 4, replica: 7
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1129.291923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.291923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.291923 (E_RNA)
where:
Base-Base interactions energy: -780.535
where: short stacking energy: -313.142
Base-Backbone interact. energy: -2.411
local terms energy: -346.345833
where:
bonds (distance) C4'-P energy: -68.891
bonds (distance) P-C4' energy: -60.455
flat angles C4'-P-C4' energy: -79.245
flat angles P-C4'-P energy: -56.037
tors. eta vs tors. theta energy: -81.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -923.403420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.403420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.403420 (E_RNA)
where:
Base-Base interactions energy: -597.272
where: short stacking energy: -269.052
Base-Backbone interact. energy: 0.277
local terms energy: -326.408097
where:
bonds (distance) C4'-P energy: -57.658
bonds (distance) P-C4' energy: -77.802
flat angles C4'-P-C4' energy: -73.464
flat angles P-C4'-P energy: -45.845
tors. eta vs tors. theta energy: -71.639
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: 10
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -892.188004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.188004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.188004 (E_RNA)
where:
Base-Base interactions energy: -576.831
where: short stacking energy: -248.608
Base-Backbone interact. energy: -0.578
local terms energy: -314.779707
where:
bonds (distance) C4'-P energy: -50.932
bonds (distance) P-C4' energy: -75.907
flat angles C4'-P-C4' energy: -68.913
flat angles P-C4'-P energy: -46.526
tors. eta vs tors. theta energy: -72.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -767.714922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.714922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.714922 (E_RNA)
where:
Base-Base interactions energy: -490.635
where: short stacking energy: -229.415
Base-Backbone interact. energy: -0.583
local terms energy: -276.496044
where:
bonds (distance) C4'-P energy: -60.216
bonds (distance) P-C4' energy: -61.090
flat angles C4'-P-C4' energy: -63.991
flat angles P-C4'-P energy: -40.873
tors. eta vs tors. theta energy: -50.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -575.548898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.548898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.548898 (E_RNA)
where:
Base-Base interactions energy: -349.068
where: short stacking energy: -180.036
Base-Backbone interact. energy: 3.811
local terms energy: -230.292105
where:
bonds (distance) C4'-P energy: -50.738
bonds (distance) P-C4' energy: -55.702
flat angles C4'-P-C4' energy: -69.524
flat angles P-C4'-P energy: -34.828
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: 9, replica: 4
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -372.745506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.745506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.745506 (E_RNA)
where:
Base-Base interactions energy: -155.012
where: short stacking energy: -94.288
Base-Backbone interact. energy: -1.196
local terms energy: -216.537657
where:
bonds (distance) C4'-P energy: -61.709
bonds (distance) P-C4' energy: -68.425
flat angles C4'-P-C4' energy: -52.498
flat angles P-C4'-P energy: -34.904
tors. eta vs tors. theta energy: 0.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -279.074377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.074377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.074377 (E_RNA)
where:
Base-Base interactions energy: -72.175
where: short stacking energy: -55.794
Base-Backbone interact. energy: -1.292
local terms energy: -205.606759
where:
bonds (distance) C4'-P energy: -45.614
bonds (distance) P-C4' energy: -69.480
flat angles C4'-P-C4' energy: -60.394
flat angles P-C4'-P energy: -37.070
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: 1, replica: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1319.957515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.957515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.957515 (E_RNA)
where:
Base-Base interactions energy: -905.611
where: short stacking energy: -388.479
Base-Backbone interact. energy: 0.562
local terms energy: -414.908269
where:
bonds (distance) C4'-P energy: -73.224
bonds (distance) P-C4' energy: -81.225
flat angles C4'-P-C4' energy: -84.812
flat angles P-C4'-P energy: -53.574
tors. eta vs tors. theta energy: -122.073
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: 2, replica: 9
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1233.912540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.912540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.912540 (E_RNA)
where:
Base-Base interactions energy: -838.576
where: short stacking energy: -363.241
Base-Backbone interact. energy: -1.988
local terms energy: -393.349174
where:
bonds (distance) C4'-P energy: -67.494
bonds (distance) P-C4' energy: -73.525
flat angles C4'-P-C4' energy: -88.323
flat angles P-C4'-P energy: -53.544
tors. eta vs tors. theta energy: -110.463
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: 1
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1235.546540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.546540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.546540 (E_RNA)
where:
Base-Base interactions energy: -838.920
where: short stacking energy: -355.487
Base-Backbone interact. energy: -3.506
local terms energy: -393.120891
where:
bonds (distance) C4'-P energy: -63.215
bonds (distance) P-C4' energy: -69.050
flat angles C4'-P-C4' energy: -93.430
flat angles P-C4'-P energy: -55.460
tors. eta vs tors. theta energy: -111.967
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: 7
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1099.041436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.041436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.041436 (E_RNA)
where:
Base-Base interactions energy: -751.920
where: short stacking energy: -296.762
Base-Backbone interact. energy: 3.077
local terms energy: -350.198646
where:
bonds (distance) C4'-P energy: -67.233
bonds (distance) P-C4' energy: -77.863
flat angles C4'-P-C4' energy: -78.358
flat angles P-C4'-P energy: -46.904
tors. eta vs tors. theta energy: -79.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -930.142300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.142300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.142300 (E_RNA)
where:
Base-Base interactions energy: -616.711
where: short stacking energy: -292.209
Base-Backbone interact. energy: -1.496
local terms energy: -311.935111
where:
bonds (distance) C4'-P energy: -62.451
bonds (distance) P-C4' energy: -71.253
flat angles C4'-P-C4' energy: -63.333
flat angles P-C4'-P energy: -43.344
tors. eta vs tors. theta energy: -71.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -891.382064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.382064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.382064 (E_RNA)
where:
Base-Base interactions energy: -578.750
where: short stacking energy: -245.759
Base-Backbone interact. energy: -1.241
local terms energy: -311.390790
where:
bonds (distance) C4'-P energy: -65.871
bonds (distance) P-C4' energy: -66.562
flat angles C4'-P-C4' energy: -67.753
flat angles P-C4'-P energy: -48.728
tors. eta vs tors. theta energy: -62.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -736.946736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.946736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.946736 (E_RNA)
where:
Base-Base interactions energy: -466.260
where: short stacking energy: -205.621
Base-Backbone interact. energy: -0.268
local terms energy: -270.419023
where:
bonds (distance) C4'-P energy: -62.127
bonds (distance) P-C4' energy: -69.163
flat angles C4'-P-C4' energy: -66.601
flat angles P-C4'-P energy: -33.138
tors. eta vs tors. theta energy: -39.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -568.646063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.646063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.646063 (E_RNA)
where:
Base-Base interactions energy: -322.854
where: short stacking energy: -151.363
Base-Backbone interact. energy: -2.078
local terms energy: -243.713691
where:
bonds (distance) C4'-P energy: -58.650
bonds (distance) P-C4' energy: -74.652
flat angles C4'-P-C4' energy: -52.720
flat angles P-C4'-P energy: -36.945
tors. eta vs tors. theta energy: -20.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -314.023127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.023127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.023127 (E_RNA)
where:
Base-Base interactions energy: -116.271
where: short stacking energy: -90.491
Base-Backbone interact. energy: -0.769
local terms energy: -196.983975
where:
bonds (distance) C4'-P energy: -58.456
bonds (distance) P-C4' energy: -61.404
flat angles C4'-P-C4' energy: -42.806
flat angles P-C4'-P energy: -39.304
tors. eta vs tors. theta energy: 4.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -293.103278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.103278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.103278 (E_RNA)
where:
Base-Base interactions energy: -75.281
where: short stacking energy: -64.066
Base-Backbone interact. energy: 1.245
local terms energy: -219.066963
where:
bonds (distance) C4'-P energy: -64.955
bonds (distance) P-C4' energy: -71.541
flat angles C4'-P-C4' energy: -59.301
flat angles P-C4'-P energy: -32.273
tors. eta vs tors. theta energy: 9.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1325.323760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.323760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.323760 (E_RNA)
where:
Base-Base interactions energy: -913.126
where: short stacking energy: -381.941
Base-Backbone interact. energy: -1.164
local terms energy: -411.033947
where:
bonds (distance) C4'-P energy: -79.539
bonds (distance) P-C4' energy: -71.694
flat angles C4'-P-C4' energy: -86.626
flat angles P-C4'-P energy: -54.073
tors. eta vs tors. theta energy: -119.101
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: 1
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1230.350697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.350697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.350697 (E_RNA)
where:
Base-Base interactions energy: -843.392
where: short stacking energy: -358.363
Base-Backbone interact. energy: -1.207
local terms energy: -385.752598
where:
bonds (distance) C4'-P energy: -65.728
bonds (distance) P-C4' energy: -75.993
flat angles C4'-P-C4' energy: -79.474
flat angles P-C4'-P energy: -53.335
tors. eta vs tors. theta energy: -111.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1212.017827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.017827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.017827 (E_RNA)
where:
Base-Base interactions energy: -843.343
where: short stacking energy: -359.336
Base-Backbone interact. energy: -1.306
local terms energy: -367.369194
where:
bonds (distance) C4'-P energy: -69.178
bonds (distance) P-C4' energy: -70.305
flat angles C4'-P-C4' energy: -78.689
flat angles P-C4'-P energy: -40.970
tors. eta vs tors. theta energy: -108.226
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: 7
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -1118.309511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.309511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.309511 (E_RNA)
where:
Base-Base interactions energy: -758.512
where: short stacking energy: -309.493
Base-Backbone interact. energy: -2.569
local terms energy: -357.228557
where:
bonds (distance) C4'-P energy: -63.592
bonds (distance) P-C4' energy: -70.998
flat angles C4'-P-C4' energy: -76.238
flat angles P-C4'-P energy: -51.937
tors. eta vs tors. theta energy: -94.463
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: 5, replica: 5
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -959.937808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.937808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.937808 (E_RNA)
where:
Base-Base interactions energy: -630.977
where: short stacking energy: -269.549
Base-Backbone interact. energy: -1.187
local terms energy: -327.773973
where:
bonds (distance) C4'-P energy: -61.101
bonds (distance) P-C4' energy: -72.710
flat angles C4'-P-C4' energy: -69.326
flat angles P-C4'-P energy: -47.766
tors. eta vs tors. theta energy: -76.871
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: 10
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -884.201617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.201617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.201617 (E_RNA)
where:
Base-Base interactions energy: -578.888
where: short stacking energy: -246.995
Base-Backbone interact. energy: -0.869
local terms energy: -304.445293
where:
bonds (distance) C4'-P energy: -66.792
bonds (distance) P-C4' energy: -64.197
flat angles C4'-P-C4' energy: -69.052
flat angles P-C4'-P energy: -46.054
tors. eta vs tors. theta energy: -58.351
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: 3
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -729.775174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.775174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.775174 (E_RNA)
where:
Base-Base interactions energy: -445.417
where: short stacking energy: -199.866
Base-Backbone interact. energy: 1.751
local terms energy: -286.109513
where:
bonds (distance) C4'-P energy: -67.228
bonds (distance) P-C4' energy: -61.193
flat angles C4'-P-C4' energy: -72.987
flat angles P-C4'-P energy: -46.186
tors. eta vs tors. theta energy: -38.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -568.982611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.982611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.982611 (E_RNA)
where:
Base-Base interactions energy: -341.312
where: short stacking energy: -183.925
Base-Backbone interact. energy: 1.367
local terms energy: -229.037225
where:
bonds (distance) C4'-P energy: -39.590
bonds (distance) P-C4' energy: -48.673
flat angles C4'-P-C4' energy: -73.393
flat angles P-C4'-P energy: -45.953
tors. eta vs tors. theta energy: -21.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -329.069018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.069018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.069018 (E_RNA)
where:
Base-Base interactions energy: -124.404
where: short stacking energy: -75.066
Base-Backbone interact. energy: -1.062
local terms energy: -203.602757
where:
bonds (distance) C4'-P energy: -52.970
bonds (distance) P-C4' energy: -70.306
flat angles C4'-P-C4' energy: -53.310
flat angles P-C4'-P energy: -30.363
tors. eta vs tors. theta energy: 3.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -351.554160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.554160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.554160 (E_RNA)
where:
Base-Base interactions energy: -153.994
where: short stacking energy: -97.659
Base-Backbone interact. energy: 1.661
local terms energy: -199.221012
where:
bonds (distance) C4'-P energy: -67.224
bonds (distance) P-C4' energy: -66.612
flat angles C4'-P-C4' energy: -34.823
flat angles P-C4'-P energy: -36.973
tors. eta vs tors. theta energy: 6.411
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: 1, replica: 2
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1326.198276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.198276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.198276 (E_RNA)
where:
Base-Base interactions energy: -912.772
where: short stacking energy: -391.001
Base-Backbone interact. energy: -0.995
local terms energy: -412.431638
where:
bonds (distance) C4'-P energy: -77.321
bonds (distance) P-C4' energy: -68.724
flat angles C4'-P-C4' energy: -87.745
flat angles P-C4'-P energy: -62.499
tors. eta vs tors. theta energy: -116.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1226.817787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.817787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.817787 (E_RNA)
where:
Base-Base interactions energy: -832.385
where: short stacking energy: -334.855
Base-Backbone interact. energy: -0.352
local terms energy: -394.080672
where:
bonds (distance) C4'-P energy: -76.760
bonds (distance) P-C4' energy: -71.006
flat angles C4'-P-C4' energy: -91.268
flat angles P-C4'-P energy: -49.885
tors. eta vs tors. theta energy: -105.161
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: 9
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -1196.402723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.402723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.402723 (E_RNA)
where:
Base-Base interactions energy: -825.453
where: short stacking energy: -347.074
Base-Backbone interact. energy: -0.242
local terms energy: -370.707836
where:
bonds (distance) C4'-P energy: -76.870
bonds (distance) P-C4' energy: -62.835
flat angles C4'-P-C4' energy: -80.905
flat angles P-C4'-P energy: -43.367
tors. eta vs tors. theta energy: -106.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1090.940214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.940214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.940214 (E_RNA)
where:
Base-Base interactions energy: -755.235
where: short stacking energy: -315.090
Base-Backbone interact. energy: 2.059
local terms energy: -337.764496
where:
bonds (distance) C4'-P energy: -71.127
bonds (distance) P-C4' energy: -69.085
flat angles C4'-P-C4' energy: -70.189
flat angles P-C4'-P energy: -47.390
tors. eta vs tors. theta energy: -79.973
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: 5
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -960.774404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.774404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.774404 (E_RNA)
where:
Base-Base interactions energy: -629.220
where: short stacking energy: -266.421
Base-Backbone interact. energy: -1.634
local terms energy: -329.920481
where:
bonds (distance) C4'-P energy: -65.612
bonds (distance) P-C4' energy: -57.904
flat angles C4'-P-C4' energy: -77.953
flat angles P-C4'-P energy: -51.863
tors. eta vs tors. theta energy: -76.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -940.989532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.989532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.989532 (E_RNA)
where:
Base-Base interactions energy: -612.392
where: short stacking energy: -266.059
Base-Backbone interact. energy: 0.030
local terms energy: -328.627533
where:
bonds (distance) C4'-P energy: -66.962
bonds (distance) P-C4' energy: -74.617
flat angles C4'-P-C4' energy: -66.731
flat angles P-C4'-P energy: -47.498
tors. eta vs tors. theta energy: -72.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -736.989110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.989110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.989110 (E_RNA)
where:
Base-Base interactions energy: -465.112
where: short stacking energy: -223.514
Base-Backbone interact. energy: 1.692
local terms energy: -273.569254
where:
bonds (distance) C4'-P energy: -61.092
bonds (distance) P-C4' energy: -65.167
flat angles C4'-P-C4' energy: -68.112
flat angles P-C4'-P energy: -29.061
tors. eta vs tors. theta energy: -50.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -569.632008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.632008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.632008 (E_RNA)
where:
Base-Base interactions energy: -355.412
where: short stacking energy: -158.319
Base-Backbone interact. energy: -0.387
local terms energy: -213.833165
where:
bonds (distance) C4'-P energy: -52.677
bonds (distance) P-C4' energy: -53.517
flat angles C4'-P-C4' energy: -62.285
flat angles P-C4'-P energy: -26.185
tors. eta vs tors. theta energy: -19.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -373.315344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.315344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.315344 (E_RNA)
where:
Base-Base interactions energy: -154.486
where: short stacking energy: -111.790
Base-Backbone interact. energy: -0.308
local terms energy: -218.521710
where:
bonds (distance) C4'-P energy: -53.312
bonds (distance) P-C4' energy: -69.887
flat angles C4'-P-C4' energy: -49.939
flat angles P-C4'-P energy: -38.797
tors. eta vs tors. theta energy: -6.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -285.063693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.063693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.063693 (E_RNA)
where:
Base-Base interactions energy: -91.270
where: short stacking energy: -78.265
Base-Backbone interact. energy: 0.277
local terms energy: -194.071386
where:
bonds (distance) C4'-P energy: -47.973
bonds (distance) P-C4' energy: -71.219
flat angles C4'-P-C4' energy: -57.584
flat angles P-C4'-P energy: -34.784
tors. eta vs tors. theta energy: 17.488
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: 311
Temperature: 0.900000
Total energy: -1328.917562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.917562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.917562 (E_RNA)
where:
Base-Base interactions energy: -931.022
where: short stacking energy: -394.906
Base-Backbone interact. energy: 0.479
local terms energy: -398.374148
where:
bonds (distance) C4'-P energy: -72.034
bonds (distance) P-C4' energy: -64.330
flat angles C4'-P-C4' energy: -77.597
flat angles P-C4'-P energy: -58.778
tors. eta vs tors. theta energy: -125.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1231.776629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.776629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.776629 (E_RNA)
where:
Base-Base interactions energy: -863.136
where: short stacking energy: -356.470
Base-Backbone interact. energy: -1.357
local terms energy: -367.284117
where:
bonds (distance) C4'-P energy: -59.053
bonds (distance) P-C4' energy: -61.974
flat angles C4'-P-C4' energy: -84.866
flat angles P-C4'-P energy: -48.542
tors. eta vs tors. theta energy: -112.849
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: 9
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1230.030435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.030435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.030435 (E_RNA)
where:
Base-Base interactions energy: -845.627
where: short stacking energy: -356.153
Base-Backbone interact. energy: -0.268
local terms energy: -384.135353
where:
bonds (distance) C4'-P energy: -71.915
bonds (distance) P-C4' energy: -67.830
flat angles C4'-P-C4' energy: -82.674
flat angles P-C4'-P energy: -55.794
tors. eta vs tors. theta energy: -105.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1080.930082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.930082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.930082 (E_RNA)
where:
Base-Base interactions energy: -743.831
where: short stacking energy: -300.298
Base-Backbone interact. energy: -0.725
local terms energy: -336.374380
where:
bonds (distance) C4'-P energy: -67.666
bonds (distance) P-C4' energy: -63.372
flat angles C4'-P-C4' energy: -80.016
flat angles P-C4'-P energy: -49.521
tors. eta vs tors. theta energy: -75.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -957.145412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.145412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.145412 (E_RNA)
where:
Base-Base interactions energy: -639.282
where: short stacking energy: -285.208
Base-Backbone interact. energy: 1.029
local terms energy: -318.892520
where:
bonds (distance) C4'-P energy: -63.857
bonds (distance) P-C4' energy: -66.182
flat angles C4'-P-C4' energy: -66.097
flat angles P-C4'-P energy: -47.535
tors. eta vs tors. theta energy: -75.222
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: 10
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -924.578155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.578155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.578155 (E_RNA)
where:
Base-Base interactions energy: -621.516
where: short stacking energy: -282.697
Base-Backbone interact. energy: 3.085
local terms energy: -306.146883
where:
bonds (distance) C4'-P energy: -59.340
bonds (distance) P-C4' energy: -60.178
flat angles C4'-P-C4' energy: -70.819
flat angles P-C4'-P energy: -39.873
tors. eta vs tors. theta energy: -75.936
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: 3
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -742.266376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.266376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.266376 (E_RNA)
where:
Base-Base interactions energy: -455.727
where: short stacking energy: -223.740
Base-Backbone interact. energy: -2.273
local terms energy: -284.266453
where:
bonds (distance) C4'-P energy: -64.147
bonds (distance) P-C4' energy: -62.837
flat angles C4'-P-C4' energy: -65.893
flat angles P-C4'-P energy: -46.993
tors. eta vs tors. theta energy: -44.396
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: 8
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -581.506255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.506255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.506255 (E_RNA)
where:
Base-Base interactions energy: -329.443
where: short stacking energy: -164.243
Base-Backbone interact. energy: -0.724
local terms energy: -251.338773
where:
bonds (distance) C4'-P energy: -61.763
bonds (distance) P-C4' energy: -63.283
flat angles C4'-P-C4' energy: -62.476
flat angles P-C4'-P energy: -32.157
tors. eta vs tors. theta energy: -31.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -384.458509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.458509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.458509 (E_RNA)
where:
Base-Base interactions energy: -187.872
where: short stacking energy: -121.230
Base-Backbone interact. energy: 5.443
local terms energy: -202.028623
where:
bonds (distance) C4'-P energy: -57.529
bonds (distance) P-C4' energy: -52.524
flat angles C4'-P-C4' energy: -51.372
flat angles P-C4'-P energy: -42.664
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: 10, replica: 4
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -286.377377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.377377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.377377 (E_RNA)
where:
Base-Base interactions energy: -95.804
where: short stacking energy: -78.878
Base-Backbone interact. energy: 1.103
local terms energy: -191.676339
where:
bonds (distance) C4'-P energy: -47.021
bonds (distance) P-C4' energy: -70.043
flat angles C4'-P-C4' energy: -50.855
flat angles P-C4'-P energy: -24.798
tors. eta vs tors. theta energy: 1.041
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: 312
Temperature: 0.900000
Total energy: -1314.879797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.879797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.879797 (E_RNA)
where:
Base-Base interactions energy: -916.041
where: short stacking energy: -389.632
Base-Backbone interact. energy: 0.543
local terms energy: -399.381338
where:
bonds (distance) C4'-P energy: -72.067
bonds (distance) P-C4' energy: -69.074
flat angles C4'-P-C4' energy: -82.809
flat angles P-C4'-P energy: -58.924
tors. eta vs tors. theta energy: -116.507
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: 1
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1245.732779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.732779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.732779 (E_RNA)
where:
Base-Base interactions energy: -848.120
where: short stacking energy: -358.718
Base-Backbone interact. energy: -3.786
local terms energy: -393.827543
where:
bonds (distance) C4'-P energy: -72.248
bonds (distance) P-C4' energy: -75.312
flat angles C4'-P-C4' energy: -85.908
flat angles P-C4'-P energy: -48.313
tors. eta vs tors. theta energy: -112.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1226.815181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.815181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.815181 (E_RNA)
where:
Base-Base interactions energy: -831.457
where: short stacking energy: -340.175
Base-Backbone interact. energy: 1.388
local terms energy: -396.745971
where:
bonds (distance) C4'-P energy: -80.660
bonds (distance) P-C4' energy: -78.909
flat angles C4'-P-C4' energy: -84.097
flat angles P-C4'-P energy: -51.834
tors. eta vs tors. theta energy: -101.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1094.508456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.508456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.508456 (E_RNA)
where:
Base-Base interactions energy: -744.435
where: short stacking energy: -305.287
Base-Backbone interact. energy: -2.675
local terms energy: -347.398325
where:
bonds (distance) C4'-P energy: -55.581
bonds (distance) P-C4' energy: -71.901
flat angles C4'-P-C4' energy: -79.514
flat angles P-C4'-P energy: -58.159
tors. eta vs tors. theta energy: -82.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -957.457875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.457875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.457875 (E_RNA)
where:
Base-Base interactions energy: -624.676
where: short stacking energy: -290.444
Base-Backbone interact. energy: -0.809
local terms energy: -331.972850
where:
bonds (distance) C4'-P energy: -59.575
bonds (distance) P-C4' energy: -76.445
flat angles C4'-P-C4' energy: -71.340
flat angles P-C4'-P energy: -38.090
tors. eta vs tors. theta energy: -86.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -902.127059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.127059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.127059 (E_RNA)
where:
Base-Base interactions energy: -583.588
where: short stacking energy: -265.622
Base-Backbone interact. energy: -0.189
local terms energy: -318.349969
where:
bonds (distance) C4'-P energy: -70.049
bonds (distance) P-C4' energy: -68.210
flat angles C4'-P-C4' energy: -64.570
flat angles P-C4'-P energy: -45.101
tors. eta vs tors. theta energy: -70.420
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: 3
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -794.510104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.510104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.510104 (E_RNA)
where:
Base-Base interactions energy: -505.078
where: short stacking energy: -228.802
Base-Backbone interact. energy: 0.940
local terms energy: -290.371854
where:
bonds (distance) C4'-P energy: -54.355
bonds (distance) P-C4' energy: -70.387
flat angles C4'-P-C4' energy: -71.557
flat angles P-C4'-P energy: -42.991
tors. eta vs tors. theta energy: -51.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -595.706399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.706399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.706399 (E_RNA)
where:
Base-Base interactions energy: -346.188
where: short stacking energy: -157.171
Base-Backbone interact. energy: -1.240
local terms energy: -248.277703
where:
bonds (distance) C4'-P energy: -61.701
bonds (distance) P-C4' energy: -65.520
flat angles C4'-P-C4' energy: -54.026
flat angles P-C4'-P energy: -45.324
tors. eta vs tors. theta energy: -21.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -389.736960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.736960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.736960 (E_RNA)
where:
Base-Base interactions energy: -185.685
where: short stacking energy: -118.170
Base-Backbone interact. energy: 1.444
local terms energy: -205.495649
where:
bonds (distance) C4'-P energy: -56.429
bonds (distance) P-C4' energy: -67.051
flat angles C4'-P-C4' energy: -50.138
flat angles P-C4'-P energy: -33.327
tors. eta vs tors. theta energy: 1.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -290.311647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.311647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.311647 (E_RNA)
where:
Base-Base interactions energy: -99.683
where: short stacking energy: -94.023
Base-Backbone interact. energy: 4.786
local terms energy: -195.414627
where:
bonds (distance) C4'-P energy: -60.277
bonds (distance) P-C4' energy: -67.386
flat angles C4'-P-C4' energy: -41.959
flat angles P-C4'-P energy: -37.859
tors. eta vs tors. theta energy: 12.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1314.369467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.369467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.369467 (E_RNA)
where:
Base-Base interactions energy: -916.776
where: short stacking energy: -386.555
Base-Backbone interact. energy: -0.077
local terms energy: -397.516527
where:
bonds (distance) C4'-P energy: -59.696
bonds (distance) P-C4' energy: -77.414
flat angles C4'-P-C4' energy: -87.112
flat angles P-C4'-P energy: -54.949
tors. eta vs tors. theta energy: -118.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1232.850122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.850122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.850122 (E_RNA)
where:
Base-Base interactions energy: -833.354
where: short stacking energy: -345.571
Base-Backbone interact. energy: -4.682
local terms energy: -394.814532
where:
bonds (distance) C4'-P energy: -72.351
bonds (distance) P-C4' energy: -68.651
flat angles C4'-P-C4' energy: -84.537
flat angles P-C4'-P energy: -52.557
tors. eta vs tors. theta energy: -116.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1221.798230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.798230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.798230 (E_RNA)
where:
Base-Base interactions energy: -855.978
where: short stacking energy: -354.250
Base-Backbone interact. energy: -0.401
local terms energy: -365.418963
where:
bonds (distance) C4'-P energy: -68.696
bonds (distance) P-C4' energy: -63.519
flat angles C4'-P-C4' energy: -73.267
flat angles P-C4'-P energy: -49.969
tors. eta vs tors. theta energy: -109.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1025.049809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.049809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.049809 (E_RNA)
where:
Base-Base interactions energy: -680.942
where: short stacking energy: -298.049
Base-Backbone interact. energy: -2.065
local terms energy: -342.042515
where:
bonds (distance) C4'-P energy: -73.340
bonds (distance) P-C4' energy: -69.673
flat angles C4'-P-C4' energy: -72.765
flat angles P-C4'-P energy: -45.565
tors. eta vs tors. theta energy: -80.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -933.704319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.704319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.704319 (E_RNA)
where:
Base-Base interactions energy: -614.484
where: short stacking energy: -272.017
Base-Backbone interact. energy: -1.247
local terms energy: -317.973397
where:
bonds (distance) C4'-P energy: -63.053
bonds (distance) P-C4' energy: -61.730
flat angles C4'-P-C4' energy: -72.336
flat angles P-C4'-P energy: -49.881
tors. eta vs tors. theta energy: -70.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -931.220725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.220725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.220725 (E_RNA)
where:
Base-Base interactions energy: -609.183
where: short stacking energy: -283.497
Base-Backbone interact. energy: -1.388
local terms energy: -320.650212
where:
bonds (distance) C4'-P energy: -66.073
bonds (distance) P-C4' energy: -57.375
flat angles C4'-P-C4' energy: -76.181
flat angles P-C4'-P energy: -41.131
tors. eta vs tors. theta energy: -79.890
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: 3
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -801.553320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.553320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.553320 (E_RNA)
where:
Base-Base interactions energy: -486.448
where: short stacking energy: -211.479
Base-Backbone interact. energy: -0.921
local terms energy: -314.184276
where:
bonds (distance) C4'-P energy: -61.655
bonds (distance) P-C4' energy: -72.160
flat angles C4'-P-C4' energy: -68.566
flat angles P-C4'-P energy: -43.496
tors. eta vs tors. theta energy: -68.307
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: 8
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -641.812515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.812515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.812515 (E_RNA)
where:
Base-Base interactions energy: -361.321
where: short stacking energy: -156.669
Base-Backbone interact. energy: -3.231
local terms energy: -277.259575
where:
bonds (distance) C4'-P energy: -61.870
bonds (distance) P-C4' energy: -64.879
flat angles C4'-P-C4' energy: -80.102
flat angles P-C4'-P energy: -34.321
tors. eta vs tors. theta energy: -36.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -385.418126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.418126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.418126 (E_RNA)
where:
Base-Base interactions energy: -181.908
where: short stacking energy: -98.641
Base-Backbone interact. energy: -1.966
local terms energy: -201.544610
where:
bonds (distance) C4'-P energy: -68.908
bonds (distance) P-C4' energy: -60.483
flat angles C4'-P-C4' energy: -51.753
flat angles P-C4'-P energy: -22.416
tors. eta vs tors. theta energy: 2.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -297.471552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.471552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.471552 (E_RNA)
where:
Base-Base interactions energy: -100.772
where: short stacking energy: -84.567
Base-Backbone interact. energy: 0.230
local terms energy: -196.930146
where:
bonds (distance) C4'-P energy: -65.866
bonds (distance) P-C4' energy: -48.386
flat angles C4'-P-C4' energy: -69.009
flat angles P-C4'-P energy: -26.703
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: 1, replica: 2
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1314.945575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.945575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.945575 (E_RNA)
where:
Base-Base interactions energy: -909.950
where: short stacking energy: -384.872
Base-Backbone interact. energy: -1.859
local terms energy: -403.136820
where:
bonds (distance) C4'-P energy: -70.684
bonds (distance) P-C4' energy: -69.246
flat angles C4'-P-C4' energy: -87.240
flat angles P-C4'-P energy: -59.549
tors. eta vs tors. theta energy: -116.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1244.395011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.395011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.395011 (E_RNA)
where:
Base-Base interactions energy: -842.255
where: short stacking energy: -358.496
Base-Backbone interact. energy: -3.078
local terms energy: -399.061450
where:
bonds (distance) C4'-P energy: -70.366
bonds (distance) P-C4' energy: -81.146
flat angles C4'-P-C4' energy: -85.439
flat angles P-C4'-P energy: -48.559
tors. eta vs tors. theta energy: -113.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1225.750447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.750447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.750447 (E_RNA)
where:
Base-Base interactions energy: -856.434
where: short stacking energy: -353.701
Base-Backbone interact. energy: -1.390
local terms energy: -367.926466
where:
bonds (distance) C4'-P energy: -69.149
bonds (distance) P-C4' energy: -65.529
flat angles C4'-P-C4' energy: -73.593
flat angles P-C4'-P energy: -51.071
tors. eta vs tors. theta energy: -108.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1044.914478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.914478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.914478 (E_RNA)
where:
Base-Base interactions energy: -695.196
where: short stacking energy: -303.280
Base-Backbone interact. energy: -1.444
local terms energy: -348.275113
where:
bonds (distance) C4'-P energy: -63.826
bonds (distance) P-C4' energy: -72.841
flat angles C4'-P-C4' energy: -65.535
flat angles P-C4'-P energy: -65.127
tors. eta vs tors. theta energy: -80.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -949.724086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.724086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.724086 (E_RNA)
where:
Base-Base interactions energy: -612.463
where: short stacking energy: -277.279
Base-Backbone interact. energy: -0.693
local terms energy: -336.568935
where:
bonds (distance) C4'-P energy: -68.628
bonds (distance) P-C4' energy: -61.761
flat angles C4'-P-C4' energy: -80.395
flat angles P-C4'-P energy: -44.568
tors. eta vs tors. theta energy: -81.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -913.723462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.723462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.723462 (E_RNA)
where:
Base-Base interactions energy: -600.647
where: short stacking energy: -259.855
Base-Backbone interact. energy: 3.779
local terms energy: -316.855314
where:
bonds (distance) C4'-P energy: -57.838
bonds (distance) P-C4' energy: -66.112
flat angles C4'-P-C4' energy: -68.985
flat angles P-C4'-P energy: -57.312
tors. eta vs tors. theta energy: -66.608
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: 3
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -758.498605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.498605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.498605 (E_RNA)
where:
Base-Base interactions energy: -464.809
where: short stacking energy: -219.795
Base-Backbone interact. energy: -0.850
local terms energy: -292.839620
where:
bonds (distance) C4'-P energy: -66.493
bonds (distance) P-C4' energy: -63.711
flat angles C4'-P-C4' energy: -68.707
flat angles P-C4'-P energy: -43.148
tors. eta vs tors. theta energy: -50.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -643.970383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.970383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.970383 (E_RNA)
where:
Base-Base interactions energy: -395.929
where: short stacking energy: -191.026
Base-Backbone interact. energy: 3.567
local terms energy: -251.608569
where:
bonds (distance) C4'-P energy: -58.784
bonds (distance) P-C4' energy: -63.865
flat angles C4'-P-C4' energy: -57.599
flat angles P-C4'-P energy: -40.845
tors. eta vs tors. theta energy: -30.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -394.205214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.205214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.205214 (E_RNA)
where:
Base-Base interactions energy: -172.804
where: short stacking energy: -97.868
Base-Backbone interact. energy: -1.018
local terms energy: -220.383144
where:
bonds (distance) C4'-P energy: -61.928
bonds (distance) P-C4' energy: -65.044
flat angles C4'-P-C4' energy: -52.268
flat angles P-C4'-P energy: -34.136
tors. eta vs tors. theta energy: -7.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -318.761734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.761734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.761734 (E_RNA)
where:
Base-Base interactions energy: -108.089
where: short stacking energy: -85.572
Base-Backbone interact. energy: -0.657
local terms energy: -210.016357
where:
bonds (distance) C4'-P energy: -68.227
bonds (distance) P-C4' energy: -57.242
flat angles C4'-P-C4' energy: -62.106
flat angles P-C4'-P energy: -24.048
tors. eta vs tors. theta energy: 1.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1321.768386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.768386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.768386 (E_RNA)
where:
Base-Base interactions energy: -903.475
where: short stacking energy: -375.769
Base-Backbone interact. energy: -0.645
local terms energy: -417.648749
where:
bonds (distance) C4'-P energy: -82.562
bonds (distance) P-C4' energy: -76.392
flat angles C4'-P-C4' energy: -80.287
flat angles P-C4'-P energy: -66.948
tors. eta vs tors. theta energy: -111.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1245.234709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.234709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.234709 (E_RNA)
where:
Base-Base interactions energy: -856.738
where: short stacking energy: -371.021
Base-Backbone interact. energy: -2.737
local terms energy: -385.759089
where:
bonds (distance) C4'-P energy: -61.973
bonds (distance) P-C4' energy: -74.788
flat angles C4'-P-C4' energy: -85.821
flat angles P-C4'-P energy: -46.821
tors. eta vs tors. theta energy: -116.356
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: 9
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1251.966956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.966956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.966956 (E_RNA)
where:
Base-Base interactions energy: -864.324
where: short stacking energy: -366.717
Base-Backbone interact. energy: -0.122
local terms energy: -387.521375
where:
bonds (distance) C4'-P energy: -62.364
bonds (distance) P-C4' energy: -68.248
flat angles C4'-P-C4' energy: -83.678
flat angles P-C4'-P energy: -58.930
tors. eta vs tors. theta energy: -114.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1065.781568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.781568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.781568 (E_RNA)
where:
Base-Base interactions energy: -701.167
where: short stacking energy: -303.218
Base-Backbone interact. energy: -2.671
local terms energy: -361.943861
where:
bonds (distance) C4'-P energy: -79.813
bonds (distance) P-C4' energy: -66.299
flat angles C4'-P-C4' energy: -76.129
flat angles P-C4'-P energy: -49.588
tors. eta vs tors. theta energy: -90.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -939.928814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.928814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.928814 (E_RNA)
where:
Base-Base interactions energy: -620.790
where: short stacking energy: -262.444
Base-Backbone interact. energy: -1.184
local terms energy: -317.954935
where:
bonds (distance) C4'-P energy: -63.010
bonds (distance) P-C4' energy: -70.723
flat angles C4'-P-C4' energy: -70.105
flat angles P-C4'-P energy: -35.919
tors. eta vs tors. theta energy: -78.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -834.565872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.565872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.565872 (E_RNA)
where:
Base-Base interactions energy: -535.819
where: short stacking energy: -250.839
Base-Backbone interact. energy: -0.638
local terms energy: -298.108699
where:
bonds (distance) C4'-P energy: -70.099
bonds (distance) P-C4' energy: -66.779
flat angles C4'-P-C4' energy: -68.471
flat angles P-C4'-P energy: -39.618
tors. eta vs tors. theta energy: -53.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -896.400228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.400228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.400228 (E_RNA)
where:
Base-Base interactions energy: -583.692
where: short stacking energy: -259.442
Base-Backbone interact. energy: -0.797
local terms energy: -311.910592
where:
bonds (distance) C4'-P energy: -61.439
bonds (distance) P-C4' energy: -54.206
flat angles C4'-P-C4' energy: -77.076
flat angles P-C4'-P energy: -46.841
tors. eta vs tors. theta energy: -72.349
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: 8, replica: 8
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -673.570356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.570356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.570356 (E_RNA)
where:
Base-Base interactions energy: -416.937
where: short stacking energy: -201.998
Base-Backbone interact. energy: 0.667
local terms energy: -257.299732
where:
bonds (distance) C4'-P energy: -57.303
bonds (distance) P-C4' energy: -60.791
flat angles C4'-P-C4' energy: -59.441
flat angles P-C4'-P energy: -36.440
tors. eta vs tors. theta energy: -43.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -443.382912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.382912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.382912 (E_RNA)
where:
Base-Base interactions energy: -211.291
where: short stacking energy: -123.693
Base-Backbone interact. energy: 1.996
local terms energy: -234.087668
where:
bonds (distance) C4'-P energy: -69.900
bonds (distance) P-C4' energy: -59.890
flat angles C4'-P-C4' energy: -57.085
flat angles P-C4'-P energy: -33.194
tors. eta vs tors. theta energy: -14.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -329.632733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.632733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.632733 (E_RNA)
where:
Base-Base interactions energy: -131.838
where: short stacking energy: -87.432
Base-Backbone interact. energy: -0.454
local terms energy: -197.340655
where:
bonds (distance) C4'-P energy: -52.240
bonds (distance) P-C4' energy: -72.934
flat angles C4'-P-C4' energy: -45.021
flat angles P-C4'-P energy: -35.347
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: 1, replica: 2
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1311.954660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.954660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.954660 (E_RNA)
where:
Base-Base interactions energy: -911.108
where: short stacking energy: -385.780
Base-Backbone interact. energy: -3.277
local terms energy: -397.569108
where:
bonds (distance) C4'-P energy: -78.478
bonds (distance) P-C4' energy: -77.480
flat angles C4'-P-C4' energy: -85.697
flat angles P-C4'-P energy: -46.196
tors. eta vs tors. theta energy: -109.718
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: 1
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1264.676467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.676467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.676467 (E_RNA)
where:
Base-Base interactions energy: -849.814
where: short stacking energy: -366.653
Base-Backbone interact. energy: -2.808
local terms energy: -412.054657
where:
bonds (distance) C4'-P energy: -71.030
bonds (distance) P-C4' energy: -79.073
flat angles C4'-P-C4' energy: -80.983
flat angles P-C4'-P energy: -58.545
tors. eta vs tors. theta energy: -122.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1229.932429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.932429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.932429 (E_RNA)
where:
Base-Base interactions energy: -833.205
where: short stacking energy: -365.850
Base-Backbone interact. energy: -1.461
local terms energy: -395.266560
where:
bonds (distance) C4'-P energy: -69.291
bonds (distance) P-C4' energy: -76.678
flat angles C4'-P-C4' energy: -77.395
flat angles P-C4'-P energy: -56.908
tors. eta vs tors. theta energy: -114.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1058.779082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.779082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.779082 (E_RNA)
where:
Base-Base interactions energy: -716.043
where: short stacking energy: -306.554
Base-Backbone interact. energy: 0.669
local terms energy: -343.405019
where:
bonds (distance) C4'-P energy: -60.106
bonds (distance) P-C4' energy: -70.150
flat angles C4'-P-C4' energy: -81.253
flat angles P-C4'-P energy: -46.484
tors. eta vs tors. theta energy: -85.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -963.955053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.955053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.955053 (E_RNA)
where:
Base-Base interactions energy: -640.448
where: short stacking energy: -283.768
Base-Backbone interact. energy: -1.931
local terms energy: -321.575965
where:
bonds (distance) C4'-P energy: -63.917
bonds (distance) P-C4' energy: -76.382
flat angles C4'-P-C4' energy: -62.234
flat angles P-C4'-P energy: -48.669
tors. eta vs tors. theta energy: -70.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -832.003499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.003499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.003499 (E_RNA)
where:
Base-Base interactions energy: -524.147
where: short stacking energy: -241.545
Base-Backbone interact. energy: -0.699
local terms energy: -307.157475
where:
bonds (distance) C4'-P energy: -63.443
bonds (distance) P-C4' energy: -63.993
flat angles C4'-P-C4' energy: -64.822
flat angles P-C4'-P energy: -48.391
tors. eta vs tors. theta energy: -66.508
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: 7, replica: 5
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -894.722412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.722412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.722412 (E_RNA)
where:
Base-Base interactions energy: -583.261
where: short stacking energy: -261.229
Base-Backbone interact. energy: 1.764
local terms energy: -313.225634
where:
bonds (distance) C4'-P energy: -61.291
bonds (distance) P-C4' energy: -71.855
flat angles C4'-P-C4' energy: -68.009
flat angles P-C4'-P energy: -39.063
tors. eta vs tors. theta energy: -73.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -677.122116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.122116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.122116 (E_RNA)
where:
Base-Base interactions energy: -408.389
where: short stacking energy: -181.398
Base-Backbone interact. energy: 1.485
local terms energy: -270.218583
where:
bonds (distance) C4'-P energy: -58.745
bonds (distance) P-C4' energy: -60.530
flat angles C4'-P-C4' energy: -72.682
flat angles P-C4'-P energy: -50.598
tors. eta vs tors. theta energy: -27.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -429.898145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.898145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.898145 (E_RNA)
where:
Base-Base interactions energy: -206.648
where: short stacking energy: -122.597
Base-Backbone interact. energy: 1.735
local terms energy: -224.986003
where:
bonds (distance) C4'-P energy: -58.215
bonds (distance) P-C4' energy: -68.396
flat angles C4'-P-C4' energy: -65.268
flat angles P-C4'-P energy: -32.292
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: 10, replica: 4
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -342.051076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.051076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.051076 (E_RNA)
where:
Base-Base interactions energy: -144.036
where: short stacking energy: -101.434
Base-Backbone interact. energy: -1.086
local terms energy: -196.929751
where:
bonds (distance) C4'-P energy: -56.513
bonds (distance) P-C4' energy: -65.712
flat angles C4'-P-C4' energy: -54.441
flat angles P-C4'-P energy: -30.049
tors. eta vs tors. theta energy: 9.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1328.253504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.253504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.253504 (E_RNA)
where:
Base-Base interactions energy: -941.504
where: short stacking energy: -386.284
Base-Backbone interact. energy: -0.739
local terms energy: -386.011143
where:
bonds (distance) C4'-P energy: -76.422
bonds (distance) P-C4' energy: -69.313
flat angles C4'-P-C4' energy: -72.578
flat angles P-C4'-P energy: -50.155
tors. eta vs tors. theta energy: -117.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1240.516652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.516652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.516652 (E_RNA)
where:
Base-Base interactions energy: -859.029
where: short stacking energy: -371.033
Base-Backbone interact. energy: -1.320
local terms energy: -380.167618
where:
bonds (distance) C4'-P energy: -65.829
bonds (distance) P-C4' energy: -63.827
flat angles C4'-P-C4' energy: -73.618
flat angles P-C4'-P energy: -61.370
tors. eta vs tors. theta energy: -115.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1216.049348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.049348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.049348 (E_RNA)
where:
Base-Base interactions energy: -822.473
where: short stacking energy: -347.402
Base-Backbone interact. energy: 1.497
local terms energy: -395.073829
where:
bonds (distance) C4'-P energy: -69.403
bonds (distance) P-C4' energy: -66.143
flat angles C4'-P-C4' energy: -86.573
flat angles P-C4'-P energy: -64.332
tors. eta vs tors. theta energy: -108.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1060.145780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.145780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.145780 (E_RNA)
where:
Base-Base interactions energy: -700.633
where: short stacking energy: -297.317
Base-Backbone interact. energy: 5.741
local terms energy: -365.254328
where:
bonds (distance) C4'-P energy: -76.609
bonds (distance) P-C4' energy: -67.987
flat angles C4'-P-C4' energy: -78.847
flat angles P-C4'-P energy: -57.879
tors. eta vs tors. theta energy: -83.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -945.770050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.770050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.770050 (E_RNA)
where:
Base-Base interactions energy: -626.885
where: short stacking energy: -261.004
Base-Backbone interact. energy: -0.998
local terms energy: -317.887147
where:
bonds (distance) C4'-P energy: -63.039
bonds (distance) P-C4' energy: -60.632
flat angles C4'-P-C4' energy: -75.880
flat angles P-C4'-P energy: -44.007
tors. eta vs tors. theta energy: -74.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -855.304768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.304768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.304768 (E_RNA)
where:
Base-Base interactions energy: -561.692
where: short stacking energy: -251.535
Base-Backbone interact. energy: -1.531
local terms energy: -292.082129
where:
bonds (distance) C4'-P energy: -70.161
bonds (distance) P-C4' energy: -51.420
flat angles C4'-P-C4' energy: -63.766
flat angles P-C4'-P energy: -48.185
tors. eta vs tors. theta energy: -58.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -803.837531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.837531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.837531 (E_RNA)
where:
Base-Base interactions energy: -525.804
where: short stacking energy: -228.873
Base-Backbone interact. energy: -1.786
local terms energy: -276.247931
where:
bonds (distance) C4'-P energy: -50.143
bonds (distance) P-C4' energy: -60.176
flat angles C4'-P-C4' energy: -73.041
flat angles P-C4'-P energy: -37.577
tors. eta vs tors. theta energy: -55.311
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: 8, replica: 8
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -651.514551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.514551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.514551 (E_RNA)
where:
Base-Base interactions energy: -410.985
where: short stacking energy: -178.605
Base-Backbone interact. energy: -1.309
local terms energy: -239.221353
where:
bonds (distance) C4'-P energy: -61.789
bonds (distance) P-C4' energy: -55.102
flat angles C4'-P-C4' energy: -59.533
flat angles P-C4'-P energy: -34.233
tors. eta vs tors. theta energy: -28.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -393.046123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.046123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.046123 (E_RNA)
where:
Base-Base interactions energy: -186.471
where: short stacking energy: -125.742
Base-Backbone interact. energy: -3.548
local terms energy: -203.027204
where:
bonds (distance) C4'-P energy: -63.272
bonds (distance) P-C4' energy: -68.024
flat angles C4'-P-C4' energy: -44.226
flat angles P-C4'-P energy: -19.340
tors. eta vs tors. theta energy: -8.165
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: 4
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -298.955574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.955574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.955574 (E_RNA)
where:
Base-Base interactions energy: -120.987
where: short stacking energy: -105.835
Base-Backbone interact. energy: 1.933
local terms energy: -179.901160
where:
bonds (distance) C4'-P energy: -45.189
bonds (distance) P-C4' energy: -49.938
flat angles C4'-P-C4' energy: -61.037
flat angles P-C4'-P energy: -20.750
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: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1329.359812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.359812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.359812 (E_RNA)
where:
Base-Base interactions energy: -926.191
where: short stacking energy: -381.446
Base-Backbone interact. energy: 0.795
local terms energy: -403.963884
where:
bonds (distance) C4'-P energy: -72.276
bonds (distance) P-C4' energy: -71.121
flat angles C4'-P-C4' energy: -86.353
flat angles P-C4'-P energy: -58.947
tors. eta vs tors. theta energy: -115.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1264.833950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.833950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.833950 (E_RNA)
where:
Base-Base interactions energy: -862.821
where: short stacking energy: -367.057
Base-Backbone interact. energy: -0.742
local terms energy: -401.270704
where:
bonds (distance) C4'-P energy: -70.193
bonds (distance) P-C4' energy: -61.831
flat angles C4'-P-C4' energy: -83.119
flat angles P-C4'-P energy: -66.524
tors. eta vs tors. theta energy: -119.605
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: 1
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1228.389537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.389537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.389537 (E_RNA)
where:
Base-Base interactions energy: -825.474
where: short stacking energy: -352.385
Base-Backbone interact. energy: -1.552
local terms energy: -401.363598
where:
bonds (distance) C4'-P energy: -63.529
bonds (distance) P-C4' energy: -76.912
flat angles C4'-P-C4' energy: -84.707
flat angles P-C4'-P energy: -60.822
tors. eta vs tors. theta energy: -115.394
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: 318
Temperature: 1.050000
Total energy: -1047.706976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.706976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.706976 (E_RNA)
where:
Base-Base interactions energy: -705.887
where: short stacking energy: -301.982
Base-Backbone interact. energy: 2.397
local terms energy: -344.217234
where:
bonds (distance) C4'-P energy: -66.247
bonds (distance) P-C4' energy: -71.079
flat angles C4'-P-C4' energy: -78.681
flat angles P-C4'-P energy: -47.308
tors. eta vs tors. theta energy: -80.902
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: 318
Temperature: 1.100000
Total energy: -958.723874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.723874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.723874 (E_RNA)
where:
Base-Base interactions energy: -619.882
where: short stacking energy: -273.935
Base-Backbone interact. energy: 2.894
local terms energy: -341.736416
where:
bonds (distance) C4'-P energy: -64.708
bonds (distance) P-C4' energy: -75.995
flat angles C4'-P-C4' energy: -66.180
flat angles P-C4'-P energy: -53.916
tors. eta vs tors. theta energy: -80.937
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: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -802.631131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.631131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.631131 (E_RNA)
where:
Base-Base interactions energy: -516.622
where: short stacking energy: -222.655
Base-Backbone interact. energy: -0.397
local terms energy: -285.611378
where:
bonds (distance) C4'-P energy: -68.097
bonds (distance) P-C4' energy: -71.719
flat angles C4'-P-C4' energy: -56.925
flat angles P-C4'-P energy: -44.590
tors. eta vs tors. theta energy: -44.280
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: 5
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -805.774002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.774002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.774002 (E_RNA)
where:
Base-Base interactions energy: -530.358
where: short stacking energy: -222.554
Base-Backbone interact. energy: -0.590
local terms energy: -274.825875
where:
bonds (distance) C4'-P energy: -59.381
bonds (distance) P-C4' energy: -63.170
flat angles C4'-P-C4' energy: -60.936
flat angles P-C4'-P energy: -38.516
tors. eta vs tors. theta energy: -52.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -670.785980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.785980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.785980 (E_RNA)
where:
Base-Base interactions energy: -437.605
where: short stacking energy: -171.843
Base-Backbone interact. energy: -1.710
local terms energy: -231.470413
where:
bonds (distance) C4'-P energy: -61.797
bonds (distance) P-C4' energy: -60.050
flat angles C4'-P-C4' energy: -53.065
flat angles P-C4'-P energy: -34.932
tors. eta vs tors. theta energy: -21.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -345.867820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.867820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.867820 (E_RNA)
where:
Base-Base interactions energy: -144.418
where: short stacking energy: -108.834
Base-Backbone interact. energy: 3.634
local terms energy: -205.084111
where:
bonds (distance) C4'-P energy: -59.663
bonds (distance) P-C4' energy: -42.348
flat angles C4'-P-C4' energy: -57.922
flat angles P-C4'-P energy: -39.493
tors. eta vs tors. theta energy: -5.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -347.211383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.211383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.211383 (E_RNA)
where:
Base-Base interactions energy: -132.078
where: short stacking energy: -85.917
Base-Backbone interact. energy: 0.371
local terms energy: -215.504380
where:
bonds (distance) C4'-P energy: -67.709
bonds (distance) P-C4' energy: -68.410
flat angles C4'-P-C4' energy: -56.117
flat angles P-C4'-P energy: -37.261
tors. eta vs tors. theta energy: 13.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1341.678548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.678548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.678548 (E_RNA)
where:
Base-Base interactions energy: -923.930
where: short stacking energy: -389.439
Base-Backbone interact. energy: -1.392
local terms energy: -416.356425
where:
bonds (distance) C4'-P energy: -75.047
bonds (distance) P-C4' energy: -73.171
flat angles C4'-P-C4' energy: -82.289
flat angles P-C4'-P energy: -67.353
tors. eta vs tors. theta energy: -118.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1249.330828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.330828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.330828 (E_RNA)
where:
Base-Base interactions energy: -861.704
where: short stacking energy: -362.672
Base-Backbone interact. energy: 0.161
local terms energy: -387.787433
where:
bonds (distance) C4'-P energy: -64.243
bonds (distance) P-C4' energy: -69.995
flat angles C4'-P-C4' energy: -82.672
flat angles P-C4'-P energy: -54.640
tors. eta vs tors. theta energy: -116.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1226.435739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.435739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.435739 (E_RNA)
where:
Base-Base interactions energy: -829.404
where: short stacking energy: -347.524
Base-Backbone interact. energy: -0.610
local terms energy: -396.421999
where:
bonds (distance) C4'-P energy: -71.363
bonds (distance) P-C4' energy: -65.699
flat angles C4'-P-C4' energy: -84.731
flat angles P-C4'-P energy: -58.019
tors. eta vs tors. theta energy: -116.610
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: 4, replica: 7
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1054.765546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.765546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.765546 (E_RNA)
where:
Base-Base interactions energy: -710.036
where: short stacking energy: -296.929
Base-Backbone interact. energy: -2.262
local terms energy: -342.467643
where:
bonds (distance) C4'-P energy: -69.337
bonds (distance) P-C4' energy: -70.332
flat angles C4'-P-C4' energy: -77.598
flat angles P-C4'-P energy: -45.516
tors. eta vs tors. theta energy: -79.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -938.609075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.609075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.609075 (E_RNA)
where:
Base-Base interactions energy: -629.283
where: short stacking energy: -266.250
Base-Backbone interact. energy: -0.203
local terms energy: -309.123075
where:
bonds (distance) C4'-P energy: -65.203
bonds (distance) P-C4' energy: -60.097
flat angles C4'-P-C4' energy: -67.012
flat angles P-C4'-P energy: -48.874
tors. eta vs tors. theta energy: -67.937
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: 3
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -855.889791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.889791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.889791 (E_RNA)
where:
Base-Base interactions energy: -545.247
where: short stacking energy: -250.707
Base-Backbone interact. energy: -0.921
local terms energy: -309.721754
where:
bonds (distance) C4'-P energy: -70.697
bonds (distance) P-C4' energy: -56.315
flat angles C4'-P-C4' energy: -77.561
flat angles P-C4'-P energy: -41.714
tors. eta vs tors. theta energy: -63.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -810.212203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.212203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.212203 (E_RNA)
where:
Base-Base interactions energy: -521.903
where: short stacking energy: -225.207
Base-Backbone interact. energy: -2.157
local terms energy: -286.152092
where:
bonds (distance) C4'-P energy: -58.090
bonds (distance) P-C4' energy: -62.113
flat angles C4'-P-C4' energy: -55.071
flat angles P-C4'-P energy: -49.549
tors. eta vs tors. theta energy: -61.328
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: 8, replica: 8
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -643.167675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.167675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.167675 (E_RNA)
where:
Base-Base interactions energy: -372.571
where: short stacking energy: -159.501
Base-Backbone interact. energy: -0.951
local terms energy: -269.646188
where:
bonds (distance) C4'-P energy: -62.991
bonds (distance) P-C4' energy: -76.501
flat angles C4'-P-C4' energy: -55.206
flat angles P-C4'-P energy: -43.033
tors. eta vs tors. theta energy: -31.916
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: 9, replica: 4
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -331.826253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.826253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.826253 (E_RNA)
where:
Base-Base interactions energy: -121.029
where: short stacking energy: -86.975
Base-Backbone interact. energy: -2.000
local terms energy: -208.797404
where:
bonds (distance) C4'-P energy: -54.099
bonds (distance) P-C4' energy: -59.082
flat angles C4'-P-C4' energy: -61.751
flat angles P-C4'-P energy: -39.438
tors. eta vs tors. theta energy: 5.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -319.840855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.840855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.840855 (E_RNA)
where:
Base-Base interactions energy: -116.484
where: short stacking energy: -90.888
Base-Backbone interact. energy: 1.106
local terms energy: -204.462413
where:
bonds (distance) C4'-P energy: -73.162
bonds (distance) P-C4' energy: -63.221
flat angles C4'-P-C4' energy: -54.849
flat angles P-C4'-P energy: -30.671
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: 1, replica: 2
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1309.910607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.910607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.910607 (E_RNA)
where:
Base-Base interactions energy: -904.218
where: short stacking energy: -390.216
Base-Backbone interact. energy: -1.506
local terms energy: -404.186185
where:
bonds (distance) C4'-P energy: -68.838
bonds (distance) P-C4' energy: -72.949
flat angles C4'-P-C4' energy: -87.125
flat angles P-C4'-P energy: -57.928
tors. eta vs tors. theta energy: -117.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1251.665645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.665645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.665645 (E_RNA)
where:
Base-Base interactions energy: -862.007
where: short stacking energy: -373.157
Base-Backbone interact. energy: -0.417
local terms energy: -389.242319
where:
bonds (distance) C4'-P energy: -72.134
bonds (distance) P-C4' energy: -69.262
flat angles C4'-P-C4' energy: -75.515
flat angles P-C4'-P energy: -57.756
tors. eta vs tors. theta energy: -114.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1222.025981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.025981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.025981 (E_RNA)
where:
Base-Base interactions energy: -846.307
where: short stacking energy: -360.142
Base-Backbone interact. energy: -3.818
local terms energy: -371.901058
where:
bonds (distance) C4'-P energy: -62.633
bonds (distance) P-C4' energy: -66.780
flat angles C4'-P-C4' energy: -79.403
flat angles P-C4'-P energy: -49.015
tors. eta vs tors. theta energy: -114.071
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: 4, replica: 7
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1069.887818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.887818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.887818 (E_RNA)
where:
Base-Base interactions energy: -735.177
where: short stacking energy: -318.929
Base-Backbone interact. energy: -0.964
local terms energy: -333.747383
where:
bonds (distance) C4'-P energy: -72.486
bonds (distance) P-C4' energy: -64.334
flat angles C4'-P-C4' energy: -67.228
flat angles P-C4'-P energy: -48.367
tors. eta vs tors. theta energy: -81.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -951.774064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.774064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.774064 (E_RNA)
where:
Base-Base interactions energy: -619.725
where: short stacking energy: -269.353
Base-Backbone interact. energy: -0.257
local terms energy: -331.791786
where:
bonds (distance) C4'-P energy: -71.605
bonds (distance) P-C4' energy: -71.066
flat angles C4'-P-C4' energy: -67.973
flat angles P-C4'-P energy: -47.666
tors. eta vs tors. theta energy: -73.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -821.380440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.380440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.380440 (E_RNA)
where:
Base-Base interactions energy: -536.702
where: short stacking energy: -240.360
Base-Backbone interact. energy: -2.643
local terms energy: -282.035208
where:
bonds (distance) C4'-P energy: -59.112
bonds (distance) P-C4' energy: -64.661
flat angles C4'-P-C4' energy: -74.650
flat angles P-C4'-P energy: -35.215
tors. eta vs tors. theta energy: -48.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -812.871660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.871660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.871660 (E_RNA)
where:
Base-Base interactions energy: -531.475
where: short stacking energy: -221.940
Base-Backbone interact. energy: 2.049
local terms energy: -283.445571
where:
bonds (distance) C4'-P energy: -47.394
bonds (distance) P-C4' energy: -57.125
flat angles C4'-P-C4' energy: -66.809
flat angles P-C4'-P energy: -54.445
tors. eta vs tors. theta energy: -57.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -604.682670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.682670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.682670 (E_RNA)
where:
Base-Base interactions energy: -345.014
where: short stacking energy: -171.049
Base-Backbone interact. energy: 0.641
local terms energy: -260.308903
where:
bonds (distance) C4'-P energy: -60.027
bonds (distance) P-C4' energy: -72.084
flat angles C4'-P-C4' energy: -68.945
flat angles P-C4'-P energy: -35.196
tors. eta vs tors. theta energy: -24.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -325.050166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.050166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.050166 (E_RNA)
where:
Base-Base interactions energy: -133.630
where: short stacking energy: -91.315
Base-Backbone interact. energy: -0.853
local terms energy: -190.566458
where:
bonds (distance) C4'-P energy: -65.127
bonds (distance) P-C4' energy: -54.215
flat angles C4'-P-C4' energy: -48.834
flat angles P-C4'-P energy: -29.220
tors. eta vs tors. theta energy: 6.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -298.368783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.368783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.368783 (E_RNA)
where:
Base-Base interactions energy: -115.070
where: short stacking energy: -81.498
Base-Backbone interact. energy: -0.754
local terms energy: -182.545231
where:
bonds (distance) C4'-P energy: -63.094
bonds (distance) P-C4' energy: -59.810
flat angles C4'-P-C4' energy: -44.752
flat angles P-C4'-P energy: -35.824
tors. eta vs tors. theta energy: 20.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1337.485324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.485324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.485324 (E_RNA)
where:
Base-Base interactions energy: -920.813
where: short stacking energy: -391.904
Base-Backbone interact. energy: 0.997
local terms energy: -417.669707
where:
bonds (distance) C4'-P energy: -77.494
bonds (distance) P-C4' energy: -74.793
flat angles C4'-P-C4' energy: -77.673
flat angles P-C4'-P energy: -64.274
tors. eta vs tors. theta energy: -123.436
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: 9
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1231.690831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.690831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.690831 (E_RNA)
where:
Base-Base interactions energy: -854.605
where: short stacking energy: -366.710
Base-Backbone interact. energy: -1.998
local terms energy: -375.087777
where:
bonds (distance) C4'-P energy: -66.333
bonds (distance) P-C4' energy: -61.048
flat angles C4'-P-C4' energy: -79.817
flat angles P-C4'-P energy: -53.356
tors. eta vs tors. theta energy: -114.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1224.841460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.841460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.841460 (E_RNA)
where:
Base-Base interactions energy: -838.509
where: short stacking energy: -361.110
Base-Backbone interact. energy: -3.374
local terms energy: -382.958639
where:
bonds (distance) C4'-P energy: -62.742
bonds (distance) P-C4' energy: -61.399
flat angles C4'-P-C4' energy: -84.052
flat angles P-C4'-P energy: -58.731
tors. eta vs tors. theta energy: -116.034
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: 7
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1046.988169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.988169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.988169 (E_RNA)
where:
Base-Base interactions energy: -722.237
where: short stacking energy: -297.051
Base-Backbone interact. energy: -0.456
local terms energy: -324.295777
where:
bonds (distance) C4'-P energy: -63.810
bonds (distance) P-C4' energy: -68.280
flat angles C4'-P-C4' energy: -75.270
flat angles P-C4'-P energy: -43.367
tors. eta vs tors. theta energy: -73.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -951.652274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.652274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.652274 (E_RNA)
where:
Base-Base interactions energy: -619.451
where: short stacking energy: -282.005
Base-Backbone interact. energy: -0.476
local terms energy: -331.725129
where:
bonds (distance) C4'-P energy: -58.748
bonds (distance) P-C4' energy: -71.940
flat angles C4'-P-C4' energy: -77.105
flat angles P-C4'-P energy: -49.775
tors. eta vs tors. theta energy: -74.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -841.251874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.251874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.251874 (E_RNA)
where:
Base-Base interactions energy: -546.133
where: short stacking energy: -248.096
Base-Backbone interact. energy: -0.738
local terms energy: -294.380408
where:
bonds (distance) C4'-P energy: -57.216
bonds (distance) P-C4' energy: -74.323
flat angles C4'-P-C4' energy: -54.614
flat angles P-C4'-P energy: -44.501
tors. eta vs tors. theta energy: -63.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -795.745163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.745163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.745163 (E_RNA)
where:
Base-Base interactions energy: -522.239
where: short stacking energy: -214.058
Base-Backbone interact. energy: 0.855
local terms energy: -274.361404
where:
bonds (distance) C4'-P energy: -53.631
bonds (distance) P-C4' energy: -64.710
flat angles C4'-P-C4' energy: -68.340
flat angles P-C4'-P energy: -37.921
tors. eta vs tors. theta energy: -49.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -547.507387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.507387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.507387 (E_RNA)
where:
Base-Base interactions energy: -292.169
where: short stacking energy: -153.698
Base-Backbone interact. energy: 1.604
local terms energy: -256.942105
where:
bonds (distance) C4'-P energy: -52.499
bonds (distance) P-C4' energy: -75.154
flat angles C4'-P-C4' energy: -76.153
flat angles P-C4'-P energy: -42.648
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: 9, replica: 6
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -329.277879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.277879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.277879 (E_RNA)
where:
Base-Base interactions energy: -116.601
where: short stacking energy: -106.689
Base-Backbone interact. energy: 0.037
local terms energy: -212.713953
where:
bonds (distance) C4'-P energy: -60.228
bonds (distance) P-C4' energy: -63.458
flat angles C4'-P-C4' energy: -57.036
flat angles P-C4'-P energy: -34.760
tors. eta vs tors. theta energy: 2.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -298.658419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.658419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.658419 (E_RNA)
where:
Base-Base interactions energy: -121.395
where: short stacking energy: -106.303
Base-Backbone interact. energy: -2.540
local terms energy: -174.723518
where:
bonds (distance) C4'-P energy: -69.170
bonds (distance) P-C4' energy: -56.113
flat angles C4'-P-C4' energy: -32.143
flat angles P-C4'-P energy: -26.250
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: 1, replica: 2
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1315.134672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.134672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.134672 (E_RNA)
where:
Base-Base interactions energy: -912.296
where: short stacking energy: -384.794
Base-Backbone interact. energy: 1.230
local terms energy: -404.068591
where:
bonds (distance) C4'-P energy: -68.422
bonds (distance) P-C4' energy: -76.627
flat angles C4'-P-C4' energy: -83.062
flat angles P-C4'-P energy: -61.650
tors. eta vs tors. theta energy: -114.308
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: 9
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1238.607752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.607752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.607752 (E_RNA)
where:
Base-Base interactions energy: -847.902
where: short stacking energy: -366.382
Base-Backbone interact. energy: -1.523
local terms energy: -389.182431
where:
bonds (distance) C4'-P energy: -66.893
bonds (distance) P-C4' energy: -59.863
flat angles C4'-P-C4' energy: -80.634
flat angles P-C4'-P energy: -68.064
tors. eta vs tors. theta energy: -113.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1226.854748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.854748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.854748 (E_RNA)
where:
Base-Base interactions energy: -837.662
where: short stacking energy: -360.197
Base-Backbone interact. energy: -2.293
local terms energy: -386.900087
where:
bonds (distance) C4'-P energy: -60.757
bonds (distance) P-C4' energy: -73.545
flat angles C4'-P-C4' energy: -85.452
flat angles P-C4'-P energy: -51.107
tors. eta vs tors. theta energy: -116.039
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: 7
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1033.149170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.149170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.149170 (E_RNA)
where:
Base-Base interactions energy: -691.186
where: short stacking energy: -280.379
Base-Backbone interact. energy: -3.848
local terms energy: -338.115218
where:
bonds (distance) C4'-P energy: -67.542
bonds (distance) P-C4' energy: -80.341
flat angles C4'-P-C4' energy: -75.571
flat angles P-C4'-P energy: -46.696
tors. eta vs tors. theta energy: -67.965
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: 5, replica: 10
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -957.332355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.332355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.332355 (E_RNA)
where:
Base-Base interactions energy: -624.092
where: short stacking energy: -286.222
Base-Backbone interact. energy: 1.496
local terms energy: -334.736459
where:
bonds (distance) C4'-P energy: -58.322
bonds (distance) P-C4' energy: -65.685
flat angles C4'-P-C4' energy: -79.310
flat angles P-C4'-P energy: -48.029
tors. eta vs tors. theta energy: -83.391
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: 322
Temperature: 1.150000
Total energy: -871.406147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.406147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.406147 (E_RNA)
where:
Base-Base interactions energy: -552.202
where: short stacking energy: -245.477
Base-Backbone interact. energy: 3.334
local terms energy: -322.537877
where:
bonds (distance) C4'-P energy: -70.565
bonds (distance) P-C4' energy: -66.151
flat angles C4'-P-C4' energy: -75.824
flat angles P-C4'-P energy: -44.838
tors. eta vs tors. theta energy: -65.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -825.849317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.849317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.849317 (E_RNA)
where:
Base-Base interactions energy: -544.755
where: short stacking energy: -239.379
Base-Backbone interact. energy: 0.902
local terms energy: -281.995780
where:
bonds (distance) C4'-P energy: -53.057
bonds (distance) P-C4' energy: -62.576
flat angles C4'-P-C4' energy: -70.351
flat angles P-C4'-P energy: -36.696
tors. eta vs tors. theta energy: -59.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -575.086078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.086078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.086078 (E_RNA)
where:
Base-Base interactions energy: -321.844
where: short stacking energy: -157.259
Base-Backbone interact. energy: 1.347
local terms energy: -254.588817
where:
bonds (distance) C4'-P energy: -57.808
bonds (distance) P-C4' energy: -68.070
flat angles C4'-P-C4' energy: -60.278
flat angles P-C4'-P energy: -36.814
tors. eta vs tors. theta energy: -31.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -291.952196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.952196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.952196 (E_RNA)
where:
Base-Base interactions energy: -83.247
where: short stacking energy: -75.777
Base-Backbone interact. energy: -1.154
local terms energy: -207.551106
where:
bonds (distance) C4'-P energy: -61.723
bonds (distance) P-C4' energy: -66.087
flat angles C4'-P-C4' energy: -49.929
flat angles P-C4'-P energy: -41.444
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: 10, replica: 6
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -308.635044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.635044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.635044 (E_RNA)
where:
Base-Base interactions energy: -109.500
where: short stacking energy: -97.164
Base-Backbone interact. energy: 0.628
local terms energy: -199.763070
where:
bonds (distance) C4'-P energy: -48.197
bonds (distance) P-C4' energy: -56.513
flat angles C4'-P-C4' energy: -59.353
flat angles P-C4'-P energy: -40.002
tors. eta vs tors. theta energy: 4.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1317.461510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.461510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.461510 (E_RNA)
where:
Base-Base interactions energy: -936.454
where: short stacking energy: -384.646
Base-Backbone interact. energy: -0.770
local terms energy: -380.237160
where:
bonds (distance) C4'-P energy: -73.578
bonds (distance) P-C4' energy: -73.535
flat angles C4'-P-C4' energy: -77.927
flat angles P-C4'-P energy: -47.042
tors. eta vs tors. theta energy: -108.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1242.197587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.197587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.197587 (E_RNA)
where:
Base-Base interactions energy: -834.577
where: short stacking energy: -362.514
Base-Backbone interact. energy: -1.912
local terms energy: -405.709038
where:
bonds (distance) C4'-P energy: -70.139
bonds (distance) P-C4' energy: -76.547
flat angles C4'-P-C4' energy: -76.243
flat angles P-C4'-P energy: -65.259
tors. eta vs tors. theta energy: -117.521
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: 3, replica: 1
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1222.694085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.694085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.694085 (E_RNA)
where:
Base-Base interactions energy: -828.992
where: short stacking energy: -354.652
Base-Backbone interact. energy: -3.640
local terms energy: -390.062285
where:
bonds (distance) C4'-P energy: -67.903
bonds (distance) P-C4' energy: -59.288
flat angles C4'-P-C4' energy: -85.841
flat angles P-C4'-P energy: -64.607
tors. eta vs tors. theta energy: -112.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1044.680381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.680381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.680381 (E_RNA)
where:
Base-Base interactions energy: -710.327
where: short stacking energy: -294.322
Base-Backbone interact. energy: 3.866
local terms energy: -338.219499
where:
bonds (distance) C4'-P energy: -59.497
bonds (distance) P-C4' energy: -64.974
flat angles C4'-P-C4' energy: -80.964
flat angles P-C4'-P energy: -45.476
tors. eta vs tors. theta energy: -87.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -913.194860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.194860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.194860 (E_RNA)
where:
Base-Base interactions energy: -593.219
where: short stacking energy: -257.555
Base-Backbone interact. energy: -1.655
local terms energy: -318.321271
where:
bonds (distance) C4'-P energy: -63.389
bonds (distance) P-C4' energy: -66.823
flat angles C4'-P-C4' energy: -69.636
flat angles P-C4'-P energy: -46.407
tors. eta vs tors. theta energy: -72.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -885.672006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.672006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.672006 (E_RNA)
where:
Base-Base interactions energy: -567.100
where: short stacking energy: -264.622
Base-Backbone interact. energy: -0.263
local terms energy: -318.309079
where:
bonds (distance) C4'-P energy: -71.643
bonds (distance) P-C4' energy: -57.649
flat angles C4'-P-C4' energy: -74.509
flat angles P-C4'-P energy: -42.705
tors. eta vs tors. theta energy: -71.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -778.866657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.866657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.866657 (E_RNA)
where:
Base-Base interactions energy: -497.347
where: short stacking energy: -206.065
Base-Backbone interact. energy: -0.471
local terms energy: -281.049151
where:
bonds (distance) C4'-P energy: -58.518
bonds (distance) P-C4' energy: -74.560
flat angles C4'-P-C4' energy: -57.094
flat angles P-C4'-P energy: -41.661
tors. eta vs tors. theta energy: -49.216
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: 8, replica: 8
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -553.975105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.975105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.975105 (E_RNA)
where:
Base-Base interactions energy: -311.374
where: short stacking energy: -161.503
Base-Backbone interact. energy: -1.168
local terms energy: -241.433167
where:
bonds (distance) C4'-P energy: -61.317
bonds (distance) P-C4' energy: -63.489
flat angles C4'-P-C4' energy: -54.134
flat angles P-C4'-P energy: -35.853
tors. eta vs tors. theta energy: -26.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -339.962061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.962061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.962061 (E_RNA)
where:
Base-Base interactions energy: -149.906
where: short stacking energy: -93.208
Base-Backbone interact. energy: 2.933
local terms energy: -192.988565
where:
bonds (distance) C4'-P energy: -59.235
bonds (distance) P-C4' energy: -51.929
flat angles C4'-P-C4' energy: -42.466
flat angles P-C4'-P energy: -36.636
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: 10, replica: 6
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -277.345918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.345918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.345918 (E_RNA)
where:
Base-Base interactions energy: -90.740
where: short stacking energy: -77.043
Base-Backbone interact. energy: -1.079
local terms energy: -185.526322
where:
bonds (distance) C4'-P energy: -56.671
bonds (distance) P-C4' energy: -61.216
flat angles C4'-P-C4' energy: -48.646
flat angles P-C4'-P energy: -29.254
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: 1, replica: 2
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1328.411975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.411975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.411975 (E_RNA)
where:
Base-Base interactions energy: -926.909
where: short stacking energy: -399.323
Base-Backbone interact. energy: -1.923
local terms energy: -399.580820
where:
bonds (distance) C4'-P energy: -62.384
bonds (distance) P-C4' energy: -72.514
flat angles C4'-P-C4' energy: -85.268
flat angles P-C4'-P energy: -61.430
tors. eta vs tors. theta energy: -117.985
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: 9
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1256.779786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.779786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.779786 (E_RNA)
where:
Base-Base interactions energy: -840.533
where: short stacking energy: -351.636
Base-Backbone interact. energy: -2.640
local terms energy: -413.607420
where:
bonds (distance) C4'-P energy: -69.764
bonds (distance) P-C4' energy: -81.104
flat angles C4'-P-C4' energy: -82.376
flat angles P-C4'-P energy: -58.675
tors. eta vs tors. theta energy: -121.690
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: 3, replica: 1
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1233.426284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.426284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.426284 (E_RNA)
where:
Base-Base interactions energy: -825.162
where: short stacking energy: -344.307
Base-Backbone interact. energy: -1.299
local terms energy: -406.966113
where:
bonds (distance) C4'-P energy: -75.944
bonds (distance) P-C4' energy: -80.283
flat angles C4'-P-C4' energy: -81.165
flat angles P-C4'-P energy: -53.440
tors. eta vs tors. theta energy: -116.136
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: 4, replica: 7
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1048.617178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.617178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.617178 (E_RNA)
where:
Base-Base interactions energy: -705.632
where: short stacking energy: -299.113
Base-Backbone interact. energy: -0.888
local terms energy: -342.096950
where:
bonds (distance) C4'-P energy: -62.916
bonds (distance) P-C4' energy: -73.393
flat angles C4'-P-C4' energy: -76.279
flat angles P-C4'-P energy: -56.166
tors. eta vs tors. theta energy: -73.341
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: 5, replica: 10
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -892.883175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.883175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.883175 (E_RNA)
where:
Base-Base interactions energy: -561.526
where: short stacking energy: -255.354
Base-Backbone interact. energy: -1.833
local terms energy: -329.523829
where:
bonds (distance) C4'-P energy: -75.658
bonds (distance) P-C4' energy: -70.577
flat angles C4'-P-C4' energy: -63.598
flat angles P-C4'-P energy: -57.541
tors. eta vs tors. theta energy: -62.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -868.792702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.792702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.792702 (E_RNA)
where:
Base-Base interactions energy: -556.497
where: short stacking energy: -250.671
Base-Backbone interact. energy: -0.636
local terms energy: -311.660163
where:
bonds (distance) C4'-P energy: -58.126
bonds (distance) P-C4' energy: -71.875
flat angles C4'-P-C4' energy: -68.491
flat angles P-C4'-P energy: -47.825
tors. eta vs tors. theta energy: -65.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -804.639415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.639415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.639415 (E_RNA)
where:
Base-Base interactions energy: -516.428
where: short stacking energy: -243.581
Base-Backbone interact. energy: 0.766
local terms energy: -288.977628
where:
bonds (distance) C4'-P energy: -61.062
bonds (distance) P-C4' energy: -68.748
flat angles C4'-P-C4' energy: -63.238
flat angles P-C4'-P energy: -40.564
tors. eta vs tors. theta energy: -55.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -575.910032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.910032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.910032 (E_RNA)
where:
Base-Base interactions energy: -329.045
where: short stacking energy: -172.669
Base-Backbone interact. energy: 2.693
local terms energy: -249.557972
where:
bonds (distance) C4'-P energy: -56.307
bonds (distance) P-C4' energy: -77.316
flat angles C4'-P-C4' energy: -50.959
flat angles P-C4'-P energy: -38.893
tors. eta vs tors. theta energy: -26.082
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: 324
Temperature: 1.300000
Total energy: -328.980596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.980596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.980596 (E_RNA)
where:
Base-Base interactions energy: -114.387
where: short stacking energy: -89.498
Base-Backbone interact. energy: -3.172
local terms energy: -211.421740
where:
bonds (distance) C4'-P energy: -58.828
bonds (distance) P-C4' energy: -64.066
flat angles C4'-P-C4' energy: -57.217
flat angles P-C4'-P energy: -31.425
tors. eta vs tors. theta energy: 0.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -286.157003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.157003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.157003 (E_RNA)
where:
Base-Base interactions energy: -92.263
where: short stacking energy: -65.091
Base-Backbone interact. energy: 1.063
local terms energy: -194.957452
where:
bonds (distance) C4'-P energy: -69.722
bonds (distance) P-C4' energy: -69.534
flat angles C4'-P-C4' energy: -50.426
flat angles P-C4'-P energy: -25.113
tors. eta vs tors. theta energy: 19.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1317.256819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.256819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.256819 (E_RNA)
where:
Base-Base interactions energy: -892.838
where: short stacking energy: -373.943
Base-Backbone interact. energy: -0.170
local terms energy: -424.248398
where:
bonds (distance) C4'-P energy: -81.882
bonds (distance) P-C4' energy: -76.313
flat angles C4'-P-C4' energy: -90.762
flat angles P-C4'-P energy: -55.711
tors. eta vs tors. theta energy: -119.580
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: 9
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1242.478300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.478300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.478300 (E_RNA)
where:
Base-Base interactions energy: -850.698
where: short stacking energy: -374.692
Base-Backbone interact. energy: 0.556
local terms energy: -392.336667
where:
bonds (distance) C4'-P energy: -63.407
bonds (distance) P-C4' energy: -75.630
flat angles C4'-P-C4' energy: -80.810
flat angles P-C4'-P energy: -57.260
tors. eta vs tors. theta energy: -115.230
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: 3, replica: 1
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1213.707514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.707514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.707514 (E_RNA)
where:
Base-Base interactions energy: -812.502
where: short stacking energy: -334.661
Base-Backbone interact. energy: -2.435
local terms energy: -398.770201
where:
bonds (distance) C4'-P energy: -77.430
bonds (distance) P-C4' energy: -71.596
flat angles C4'-P-C4' energy: -82.066
flat angles P-C4'-P energy: -54.229
tors. eta vs tors. theta energy: -113.450
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: 7
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1048.071118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.071118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.071118 (E_RNA)
where:
Base-Base interactions energy: -721.226
where: short stacking energy: -291.707
Base-Backbone interact. energy: -0.181
local terms energy: -326.663499
where:
bonds (distance) C4'-P energy: -55.822
bonds (distance) P-C4' energy: -77.001
flat angles C4'-P-C4' energy: -75.681
flat angles P-C4'-P energy: -37.994
tors. eta vs tors. theta energy: -80.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -897.666646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.666646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.666646 (E_RNA)
where:
Base-Base interactions energy: -583.196
where: short stacking energy: -283.108
Base-Backbone interact. energy: 1.100
local terms energy: -315.570655
where:
bonds (distance) C4'-P energy: -55.991
bonds (distance) P-C4' energy: -77.936
flat angles C4'-P-C4' energy: -64.854
flat angles P-C4'-P energy: -43.115
tors. eta vs tors. theta energy: -73.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -910.140748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.140748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.140748 (E_RNA)
where:
Base-Base interactions energy: -589.332
where: short stacking energy: -266.763
Base-Backbone interact. energy: -0.664
local terms energy: -320.145310
where:
bonds (distance) C4'-P energy: -71.199
bonds (distance) P-C4' energy: -67.982
flat angles C4'-P-C4' energy: -73.863
flat angles P-C4'-P energy: -30.919
tors. eta vs tors. theta energy: -76.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -743.020913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.020913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.020913 (E_RNA)
where:
Base-Base interactions energy: -480.036
where: short stacking energy: -205.310
Base-Backbone interact. energy: -2.863
local terms energy: -260.122480
where:
bonds (distance) C4'-P energy: -57.922
bonds (distance) P-C4' energy: -59.687
flat angles C4'-P-C4' energy: -65.554
flat angles P-C4'-P energy: -37.841
tors. eta vs tors. theta energy: -39.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -568.486891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.486891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.486891 (E_RNA)
where:
Base-Base interactions energy: -311.116
where: short stacking energy: -145.253
Base-Backbone interact. energy: -1.129
local terms energy: -256.241963
where:
bonds (distance) C4'-P energy: -74.882
bonds (distance) P-C4' energy: -72.437
flat angles C4'-P-C4' energy: -53.563
flat angles P-C4'-P energy: -32.757
tors. eta vs tors. theta energy: -22.602
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: 6
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -328.504311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.504311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.504311 (E_RNA)
where:
Base-Base interactions energy: -116.493
where: short stacking energy: -89.122
Base-Backbone interact. energy: -0.764
local terms energy: -211.247435
where:
bonds (distance) C4'-P energy: -62.386
bonds (distance) P-C4' energy: -67.495
flat angles C4'-P-C4' energy: -53.706
flat angles P-C4'-P energy: -38.641
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: 10, replica: 4
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -327.035476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.035476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.035476 (E_RNA)
where:
Base-Base interactions energy: -113.782
where: short stacking energy: -85.344
Base-Backbone interact. energy: -0.011
local terms energy: -213.242159
where:
bonds (distance) C4'-P energy: -62.226
bonds (distance) P-C4' energy: -76.433
flat angles C4'-P-C4' energy: -40.201
flat angles P-C4'-P energy: -26.041
tors. eta vs tors. theta energy: -8.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1320.647123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.647123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.647123 (E_RNA)
where:
Base-Base interactions energy: -911.966
where: short stacking energy: -390.554
Base-Backbone interact. energy: -0.443
local terms energy: -408.239017
where:
bonds (distance) C4'-P energy: -72.274
bonds (distance) P-C4' energy: -78.333
flat angles C4'-P-C4' energy: -83.661
flat angles P-C4'-P energy: -51.969
tors. eta vs tors. theta energy: -122.002
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: 9
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1247.190822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.190822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.190822 (E_RNA)
where:
Base-Base interactions energy: -861.288
where: short stacking energy: -367.919
Base-Backbone interact. energy: -1.135
local terms energy: -384.767766
where:
bonds (distance) C4'-P energy: -71.563
bonds (distance) P-C4' energy: -68.418
flat angles C4'-P-C4' energy: -75.521
flat angles P-C4'-P energy: -51.049
tors. eta vs tors. theta energy: -118.217
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: 1
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1194.539394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.539394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.539394 (E_RNA)
where:
Base-Base interactions energy: -810.068
where: short stacking energy: -338.550
Base-Backbone interact. energy: -2.303
local terms energy: -382.168131
where:
bonds (distance) C4'-P energy: -77.004
bonds (distance) P-C4' energy: -68.996
flat angles C4'-P-C4' energy: -77.669
flat angles P-C4'-P energy: -51.560
tors. eta vs tors. theta energy: -106.938
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: 7
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1051.259922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.259922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.259922 (E_RNA)
where:
Base-Base interactions energy: -695.668
where: short stacking energy: -297.615
Base-Backbone interact. energy: -2.182
local terms energy: -353.410382
where:
bonds (distance) C4'-P energy: -65.020
bonds (distance) P-C4' energy: -82.537
flat angles C4'-P-C4' energy: -71.780
flat angles P-C4'-P energy: -51.932
tors. eta vs tors. theta energy: -82.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -916.711268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.711268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.711268 (E_RNA)
where:
Base-Base interactions energy: -589.044
where: short stacking energy: -264.835
Base-Backbone interact. energy: -0.658
local terms energy: -327.009516
where:
bonds (distance) C4'-P energy: -71.637
bonds (distance) P-C4' energy: -71.252
flat angles C4'-P-C4' energy: -66.241
flat angles P-C4'-P energy: -49.915
tors. eta vs tors. theta energy: -67.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -871.324052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.324052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.324052 (E_RNA)
where:
Base-Base interactions energy: -572.757
where: short stacking energy: -254.369
Base-Backbone interact. energy: -0.372
local terms energy: -298.194751
where:
bonds (distance) C4'-P energy: -66.163
bonds (distance) P-C4' energy: -70.495
flat angles C4'-P-C4' energy: -75.359
flat angles P-C4'-P energy: -29.125
tors. eta vs tors. theta energy: -57.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -733.143880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.143880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.143880 (E_RNA)
where:
Base-Base interactions energy: -456.468
where: short stacking energy: -180.501
Base-Backbone interact. energy: -0.786
local terms energy: -275.889594
where:
bonds (distance) C4'-P energy: -58.736
bonds (distance) P-C4' energy: -68.538
flat angles C4'-P-C4' energy: -64.605
flat angles P-C4'-P energy: -45.536
tors. eta vs tors. theta energy: -38.473
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: 8, replica: 8
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -552.767216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.767216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.767216 (E_RNA)
where:
Base-Base interactions energy: -309.376
where: short stacking energy: -142.329
Base-Backbone interact. energy: -1.633
local terms energy: -241.758393
where:
bonds (distance) C4'-P energy: -57.026
bonds (distance) P-C4' energy: -59.797
flat angles C4'-P-C4' energy: -68.359
flat angles P-C4'-P energy: -43.799
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: 9, replica: 4
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -329.815395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.815395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.815395 (E_RNA)
where:
Base-Base interactions energy: -143.705
where: short stacking energy: -119.591
Base-Backbone interact. energy: -1.186
local terms energy: -184.924391
where:
bonds (distance) C4'-P energy: -53.130
bonds (distance) P-C4' energy: -47.583
flat angles C4'-P-C4' energy: -54.583
flat angles P-C4'-P energy: -29.542
tors. eta vs tors. theta energy: -0.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -335.145933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.145933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.145933 (E_RNA)
where:
Base-Base interactions energy: -139.060
where: short stacking energy: -92.129
Base-Backbone interact. energy: -0.410
local terms energy: -195.676769
where:
bonds (distance) C4'-P energy: -64.754
bonds (distance) P-C4' energy: -62.207
flat angles C4'-P-C4' energy: -58.260
flat angles P-C4'-P energy: -19.217
tors. eta vs tors. theta energy: 8.762
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: 1, replica: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1309.677482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.677482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.677482 (E_RNA)
where:
Base-Base interactions energy: -910.683
where: short stacking energy: -388.366
Base-Backbone interact. energy: 0.184
local terms energy: -399.178813
where:
bonds (distance) C4'-P energy: -68.974
bonds (distance) P-C4' energy: -68.945
flat angles C4'-P-C4' energy: -87.510
flat angles P-C4'-P energy: -55.224
tors. eta vs tors. theta energy: -118.525
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: 9
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1255.808273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.808273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.808273 (E_RNA)
where:
Base-Base interactions energy: -849.369
where: short stacking energy: -371.970
Base-Backbone interact. energy: -1.732
local terms energy: -404.706861
where:
bonds (distance) C4'-P energy: -70.941
bonds (distance) P-C4' energy: -70.169
flat angles C4'-P-C4' energy: -85.242
flat angles P-C4'-P energy: -55.532
tors. eta vs tors. theta energy: -122.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1227.878132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.878132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.878132 (E_RNA)
where:
Base-Base interactions energy: -853.780
where: short stacking energy: -362.893
Base-Backbone interact. energy: -1.235
local terms energy: -372.862274
where:
bonds (distance) C4'-P energy: -52.454
bonds (distance) P-C4' energy: -67.927
flat angles C4'-P-C4' energy: -84.388
flat angles P-C4'-P energy: -52.586
tors. eta vs tors. theta energy: -115.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1033.164787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.164787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.164787 (E_RNA)
where:
Base-Base interactions energy: -697.758
where: short stacking energy: -312.484
Base-Backbone interact. energy: 0.360
local terms energy: -335.766909
where:
bonds (distance) C4'-P energy: -58.937
bonds (distance) P-C4' energy: -73.178
flat angles C4'-P-C4' energy: -74.963
flat angles P-C4'-P energy: -43.618
tors. eta vs tors. theta energy: -85.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -939.389089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.389089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.389089 (E_RNA)
where:
Base-Base interactions energy: -611.823
where: short stacking energy: -271.965
Base-Backbone interact. energy: -1.514
local terms energy: -326.052537
where:
bonds (distance) C4'-P energy: -61.967
bonds (distance) P-C4' energy: -66.173
flat angles C4'-P-C4' energy: -75.718
flat angles P-C4'-P energy: -47.095
tors. eta vs tors. theta energy: -75.099
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: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -892.500208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.500208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.500208 (E_RNA)
where:
Base-Base interactions energy: -589.813
where: short stacking energy: -256.241
Base-Backbone interact. energy: 1.299
local terms energy: -303.986457
where:
bonds (distance) C4'-P energy: -65.102
bonds (distance) P-C4' energy: -60.308
flat angles C4'-P-C4' energy: -68.030
flat angles P-C4'-P energy: -40.716
tors. eta vs tors. theta energy: -69.831
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: 7, replica: 5
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -711.602486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.602486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.602486 (E_RNA)
where:
Base-Base interactions energy: -443.160
where: short stacking energy: -191.467
Base-Backbone interact. energy: -3.223
local terms energy: -265.219511
where:
bonds (distance) C4'-P energy: -65.134
bonds (distance) P-C4' energy: -69.863
flat angles C4'-P-C4' energy: -67.324
flat angles P-C4'-P energy: -41.185
tors. eta vs tors. theta energy: -21.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -606.942969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.942969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.942969 (E_RNA)
where:
Base-Base interactions energy: -363.115
where: short stacking energy: -171.600
Base-Backbone interact. energy: 1.827
local terms energy: -245.654343
where:
bonds (distance) C4'-P energy: -68.086
bonds (distance) P-C4' energy: -69.500
flat angles C4'-P-C4' energy: -55.497
flat angles P-C4'-P energy: -31.373
tors. eta vs tors. theta energy: -21.198
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: 4
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -317.808688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.808688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.808688 (E_RNA)
where:
Base-Base interactions energy: -110.004
where: short stacking energy: -100.144
Base-Backbone interact. energy: 4.104
local terms energy: -211.908822
where:
bonds (distance) C4'-P energy: -59.955
bonds (distance) P-C4' energy: -69.484
flat angles C4'-P-C4' energy: -60.221
flat angles P-C4'-P energy: -19.433
tors. eta vs tors. theta energy: -2.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -345.479454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.479454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.479454 (E_RNA)
where:
Base-Base interactions energy: -132.587
where: short stacking energy: -87.075
Base-Backbone interact. energy: 2.119
local terms energy: -215.011436
where:
bonds (distance) C4'-P energy: -63.728
bonds (distance) P-C4' energy: -68.220
flat angles C4'-P-C4' energy: -53.191
flat angles P-C4'-P energy: -28.389
tors. eta vs tors. theta energy: -1.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1300.854521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.854521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.854521 (E_RNA)
where:
Base-Base interactions energy: -884.057
where: short stacking energy: -389.752
Base-Backbone interact. energy: -0.368
local terms energy: -416.429660
where:
bonds (distance) C4'-P energy: -68.903
bonds (distance) P-C4' energy: -72.039
flat angles C4'-P-C4' energy: -86.902
flat angles P-C4'-P energy: -64.041
tors. eta vs tors. theta energy: -124.545
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: 2, replica: 9
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1225.628221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.628221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.628221 (E_RNA)
where:
Base-Base interactions energy: -833.483
where: short stacking energy: -357.342
Base-Backbone interact. energy: -1.478
local terms energy: -390.667983
where:
bonds (distance) C4'-P energy: -71.221
bonds (distance) P-C4' energy: -71.480
flat angles C4'-P-C4' energy: -84.397
flat angles P-C4'-P energy: -51.716
tors. eta vs tors. theta energy: -111.855
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: 1
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1246.998036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.998036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.998036 (E_RNA)
where:
Base-Base interactions energy: -854.258
where: short stacking energy: -374.294
Base-Backbone interact. energy: 0.192
local terms energy: -392.931598
where:
bonds (distance) C4'-P energy: -65.683
bonds (distance) P-C4' energy: -73.375
flat angles C4'-P-C4' energy: -88.556
flat angles P-C4'-P energy: -55.049
tors. eta vs tors. theta energy: -110.269
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: 328
Temperature: 1.050000
Total energy: -1060.468381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.468381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.468381 (E_RNA)
where:
Base-Base interactions energy: -721.739
where: short stacking energy: -323.891
Base-Backbone interact. energy: 2.851
local terms energy: -341.580743
where:
bonds (distance) C4'-P energy: -67.175
bonds (distance) P-C4' energy: -72.767
flat angles C4'-P-C4' energy: -70.215
flat angles P-C4'-P energy: -52.621
tors. eta vs tors. theta energy: -78.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -943.429024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.429024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.429024 (E_RNA)
where:
Base-Base interactions energy: -620.734
where: short stacking energy: -260.610
Base-Backbone interact. energy: -1.513
local terms energy: -321.181246
where:
bonds (distance) C4'-P energy: -64.563
bonds (distance) P-C4' energy: -67.636
flat angles C4'-P-C4' energy: -71.848
flat angles P-C4'-P energy: -56.256
tors. eta vs tors. theta energy: -60.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -883.892148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.892148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.892148 (E_RNA)
where:
Base-Base interactions energy: -575.065
where: short stacking energy: -259.813
Base-Backbone interact. energy: -0.454
local terms energy: -308.373802
where:
bonds (distance) C4'-P energy: -57.772
bonds (distance) P-C4' energy: -63.798
flat angles C4'-P-C4' energy: -76.666
flat angles P-C4'-P energy: -50.564
tors. eta vs tors. theta energy: -59.573
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: 7, replica: 5
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -778.629281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.629281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.629281 (E_RNA)
where:
Base-Base interactions energy: -486.354
where: short stacking energy: -191.989
Base-Backbone interact. energy: 0.684
local terms energy: -292.959710
where:
bonds (distance) C4'-P energy: -71.583
bonds (distance) P-C4' energy: -68.928
flat angles C4'-P-C4' energy: -74.451
flat angles P-C4'-P energy: -33.756
tors. eta vs tors. theta energy: -44.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -628.502398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.502398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.502398 (E_RNA)
where:
Base-Base interactions energy: -369.618
where: short stacking energy: -187.061
Base-Backbone interact. energy: -1.192
local terms energy: -257.692637
where:
bonds (distance) C4'-P energy: -62.164
bonds (distance) P-C4' energy: -56.838
flat angles C4'-P-C4' energy: -59.336
flat angles P-C4'-P energy: -42.409
tors. eta vs tors. theta energy: -36.945
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: 4
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -302.144049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.144049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.144049 (E_RNA)
where:
Base-Base interactions energy: -106.628
where: short stacking energy: -95.193
Base-Backbone interact. energy: 0.897
local terms energy: -196.412905
where:
bonds (distance) C4'-P energy: -62.194
bonds (distance) P-C4' energy: -59.291
flat angles C4'-P-C4' energy: -60.958
flat angles P-C4'-P energy: -20.018
tors. eta vs tors. theta energy: 6.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -325.691633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.691633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.691633 (E_RNA)
where:
Base-Base interactions energy: -130.945
where: short stacking energy: -71.714
Base-Backbone interact. energy: -1.622
local terms energy: -193.124993
where:
bonds (distance) C4'-P energy: -41.195
bonds (distance) P-C4' energy: -73.171
flat angles C4'-P-C4' energy: -59.495
flat angles P-C4'-P energy: -38.745
tors. eta vs tors. theta energy: 19.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1316.174748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.174748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.174748 (E_RNA)
where:
Base-Base interactions energy: -909.052
where: short stacking energy: -380.089
Base-Backbone interact. energy: -0.168
local terms energy: -406.955487
where:
bonds (distance) C4'-P energy: -72.731
bonds (distance) P-C4' energy: -77.710
flat angles C4'-P-C4' energy: -84.602
flat angles P-C4'-P energy: -55.341
tors. eta vs tors. theta energy: -116.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1243.283081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.283081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.283081 (E_RNA)
where:
Base-Base interactions energy: -842.472
where: short stacking energy: -365.164
Base-Backbone interact. energy: -0.301
local terms energy: -400.509546
where:
bonds (distance) C4'-P energy: -72.324
bonds (distance) P-C4' energy: -73.307
flat angles C4'-P-C4' energy: -77.789
flat angles P-C4'-P energy: -63.242
tors. eta vs tors. theta energy: -113.847
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: 1
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1202.694609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.694609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.694609 (E_RNA)
where:
Base-Base interactions energy: -807.437
where: short stacking energy: -337.235
Base-Backbone interact. energy: -2.442
local terms energy: -392.815381
where:
bonds (distance) C4'-P energy: -75.029
bonds (distance) P-C4' energy: -70.234
flat angles C4'-P-C4' energy: -81.808
flat angles P-C4'-P energy: -61.199
tors. eta vs tors. theta energy: -104.545
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: 7
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -1033.198626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.198626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.198626 (E_RNA)
where:
Base-Base interactions energy: -689.411
where: short stacking energy: -291.627
Base-Backbone interact. energy: 0.263
local terms energy: -344.051055
where:
bonds (distance) C4'-P energy: -56.663
bonds (distance) P-C4' energy: -80.561
flat angles C4'-P-C4' energy: -71.558
flat angles P-C4'-P energy: -54.996
tors. eta vs tors. theta energy: -80.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -903.868587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.868587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.868587 (E_RNA)
where:
Base-Base interactions energy: -570.452
where: short stacking energy: -265.643
Base-Backbone interact. energy: 0.533
local terms energy: -333.949451
where:
bonds (distance) C4'-P energy: -76.653
bonds (distance) P-C4' energy: -68.716
flat angles C4'-P-C4' energy: -70.300
flat angles P-C4'-P energy: -47.060
tors. eta vs tors. theta energy: -71.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -902.049167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.049167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.049167 (E_RNA)
where:
Base-Base interactions energy: -576.970
where: short stacking energy: -267.100
Base-Backbone interact. energy: -0.554
local terms energy: -324.525163
where:
bonds (distance) C4'-P energy: -64.998
bonds (distance) P-C4' energy: -78.907
flat angles C4'-P-C4' energy: -70.142
flat angles P-C4'-P energy: -40.011
tors. eta vs tors. theta energy: -70.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -756.868316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.868316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.868316 (E_RNA)
where:
Base-Base interactions energy: -448.017
where: short stacking energy: -199.942
Base-Backbone interact. energy: -1.858
local terms energy: -306.993649
where:
bonds (distance) C4'-P energy: -69.229
bonds (distance) P-C4' energy: -71.279
flat angles C4'-P-C4' energy: -71.370
flat angles P-C4'-P energy: -41.424
tors. eta vs tors. theta energy: -53.691
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: 8
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -615.521791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.521791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.521791 (E_RNA)
where:
Base-Base interactions energy: -357.540
where: short stacking energy: -176.097
Base-Backbone interact. energy: 2.838
local terms energy: -260.820402
where:
bonds (distance) C4'-P energy: -63.339
bonds (distance) P-C4' energy: -67.840
flat angles C4'-P-C4' energy: -63.718
flat angles P-C4'-P energy: -32.240
tors. eta vs tors. theta energy: -33.685
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: 4
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -328.449888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.449888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.449888 (E_RNA)
where:
Base-Base interactions energy: -128.048
where: short stacking energy: -97.975
Base-Backbone interact. energy: -1.751
local terms energy: -198.650364
where:
bonds (distance) C4'-P energy: -67.309
bonds (distance) P-C4' energy: -53.931
flat angles C4'-P-C4' energy: -54.976
flat angles P-C4'-P energy: -22.065
tors. eta vs tors. theta energy: -0.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -295.266415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.266415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.266415 (E_RNA)
where:
Base-Base interactions energy: -110.057
where: short stacking energy: -78.075
Base-Backbone interact. energy: -1.798
local terms energy: -183.411721
where:
bonds (distance) C4'-P energy: -52.430
bonds (distance) P-C4' energy: -63.729
flat angles C4'-P-C4' energy: -41.487
flat angles P-C4'-P energy: -28.785
tors. eta vs tors. theta energy: 3.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1304.351715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.351715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.351715 (E_RNA)
where:
Base-Base interactions energy: -886.493
where: short stacking energy: -384.330
Base-Backbone interact. energy: -2.164
local terms energy: -415.694828
where:
bonds (distance) C4'-P energy: -81.589
bonds (distance) P-C4' energy: -67.306
flat angles C4'-P-C4' energy: -88.157
flat angles P-C4'-P energy: -60.906
tors. eta vs tors. theta energy: -117.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1250.293931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.293931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.293931 (E_RNA)
where:
Base-Base interactions energy: -839.724
where: short stacking energy: -349.790
Base-Backbone interact. energy: 1.436
local terms energy: -412.005501
where:
bonds (distance) C4'-P energy: -73.962
bonds (distance) P-C4' energy: -67.860
flat angles C4'-P-C4' energy: -86.402
flat angles P-C4'-P energy: -70.890
tors. eta vs tors. theta energy: -112.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1239.809976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.809976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.809976 (E_RNA)
where:
Base-Base interactions energy: -827.741
where: short stacking energy: -359.353
Base-Backbone interact. energy: -2.685
local terms energy: -409.384491
where:
bonds (distance) C4'-P energy: -74.740
bonds (distance) P-C4' energy: -81.873
flat angles C4'-P-C4' energy: -84.431
flat angles P-C4'-P energy: -50.232
tors. eta vs tors. theta energy: -118.109
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: 7
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1056.408395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.408395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.408395 (E_RNA)
where:
Base-Base interactions energy: -691.592
where: short stacking energy: -290.670
Base-Backbone interact. energy: -1.691
local terms energy: -363.125630
where:
bonds (distance) C4'-P energy: -74.253
bonds (distance) P-C4' energy: -74.706
flat angles C4'-P-C4' energy: -76.522
flat angles P-C4'-P energy: -50.522
tors. eta vs tors. theta energy: -87.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -935.278072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.278072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.278072 (E_RNA)
where:
Base-Base interactions energy: -607.559
where: short stacking energy: -275.028
Base-Backbone interact. energy: -0.295
local terms energy: -327.424435
where:
bonds (distance) C4'-P energy: -65.680
bonds (distance) P-C4' energy: -66.452
flat angles C4'-P-C4' energy: -78.834
flat angles P-C4'-P energy: -44.612
tors. eta vs tors. theta energy: -71.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -932.908433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.908433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.908433 (E_RNA)
where:
Base-Base interactions energy: -613.976
where: short stacking energy: -251.004
Base-Backbone interact. energy: 0.744
local terms energy: -319.676590
where:
bonds (distance) C4'-P energy: -60.515
bonds (distance) P-C4' energy: -67.465
flat angles C4'-P-C4' energy: -71.821
flat angles P-C4'-P energy: -49.772
tors. eta vs tors. theta energy: -70.104
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: 5
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -772.776051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.776051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.776051 (E_RNA)
where:
Base-Base interactions energy: -482.413
where: short stacking energy: -214.270
Base-Backbone interact. energy: 0.110
local terms energy: -290.473265
where:
bonds (distance) C4'-P energy: -64.426
bonds (distance) P-C4' energy: -67.401
flat angles C4'-P-C4' energy: -68.872
flat angles P-C4'-P energy: -30.827
tors. eta vs tors. theta energy: -58.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -640.624841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.624841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.624841 (E_RNA)
where:
Base-Base interactions energy: -384.629
where: short stacking energy: -179.144
Base-Backbone interact. energy: -1.608
local terms energy: -254.388556
where:
bonds (distance) C4'-P energy: -66.395
bonds (distance) P-C4' energy: -52.153
flat angles C4'-P-C4' energy: -64.923
flat angles P-C4'-P energy: -33.516
tors. eta vs tors. theta energy: -37.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -354.958192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.958192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.958192 (E_RNA)
where:
Base-Base interactions energy: -153.264
where: short stacking energy: -100.604
Base-Backbone interact. energy: 1.713
local terms energy: -203.406623
where:
bonds (distance) C4'-P energy: -62.742
bonds (distance) P-C4' energy: -60.071
flat angles C4'-P-C4' energy: -51.947
flat angles P-C4'-P energy: -29.468
tors. eta vs tors. theta energy: 0.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -320.781086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.781086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.781086 (E_RNA)
where:
Base-Base interactions energy: -151.157
where: short stacking energy: -108.167
Base-Backbone interact. energy: 3.108
local terms energy: -172.732833
where:
bonds (distance) C4'-P energy: -53.416
bonds (distance) P-C4' energy: -58.698
flat angles C4'-P-C4' energy: -47.340
flat angles P-C4'-P energy: -18.337
tors. eta vs tors. theta energy: 5.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1312.226757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.226757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.226757 (E_RNA)
where:
Base-Base interactions energy: -898.934
where: short stacking energy: -392.499
Base-Backbone interact. energy: -2.462
local terms energy: -410.831691
where:
bonds (distance) C4'-P energy: -70.212
bonds (distance) P-C4' energy: -79.506
flat angles C4'-P-C4' energy: -84.978
flat angles P-C4'-P energy: -56.281
tors. eta vs tors. theta energy: -119.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1264.908913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.908913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.908913 (E_RNA)
where:
Base-Base interactions energy: -849.809
where: short stacking energy: -367.361
Base-Backbone interact. energy: -2.420
local terms energy: -412.679984
where:
bonds (distance) C4'-P energy: -69.219
bonds (distance) P-C4' energy: -76.064
flat angles C4'-P-C4' energy: -93.588
flat angles P-C4'-P energy: -54.683
tors. eta vs tors. theta energy: -119.126
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: 9
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1229.260620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.260620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.260620 (E_RNA)
where:
Base-Base interactions energy: -854.666
where: short stacking energy: -359.922
Base-Backbone interact. energy: -0.813
local terms energy: -373.780978
where:
bonds (distance) C4'-P energy: -68.750
bonds (distance) P-C4' energy: -55.625
flat angles C4'-P-C4' energy: -87.385
flat angles P-C4'-P energy: -49.127
tors. eta vs tors. theta energy: -112.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1066.663659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.663659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.663659 (E_RNA)
where:
Base-Base interactions energy: -719.096
where: short stacking energy: -298.340
Base-Backbone interact. energy: 0.576
local terms energy: -348.143027
where:
bonds (distance) C4'-P energy: -60.159
bonds (distance) P-C4' energy: -77.410
flat angles C4'-P-C4' energy: -79.194
flat angles P-C4'-P energy: -49.179
tors. eta vs tors. theta energy: -82.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -963.747352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.747352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.747352 (E_RNA)
where:
Base-Base interactions energy: -608.624
where: short stacking energy: -276.119
Base-Backbone interact. energy: -2.921
local terms energy: -352.202040
where:
bonds (distance) C4'-P energy: -70.410
bonds (distance) P-C4' energy: -69.887
flat angles C4'-P-C4' energy: -75.060
flat angles P-C4'-P energy: -51.008
tors. eta vs tors. theta energy: -85.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -926.568059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.568059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.568059 (E_RNA)
where:
Base-Base interactions energy: -601.575
where: short stacking energy: -278.456
Base-Backbone interact. energy: -2.026
local terms energy: -322.966625
where:
bonds (distance) C4'-P energy: -65.204
bonds (distance) P-C4' energy: -66.157
flat angles C4'-P-C4' energy: -69.944
flat angles P-C4'-P energy: -53.598
tors. eta vs tors. theta energy: -68.065
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: 331
Temperature: 1.200000
Total energy: -756.633341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.633341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.633341 (E_RNA)
where:
Base-Base interactions energy: -478.846
where: short stacking energy: -207.710
Base-Backbone interact. energy: -2.185
local terms energy: -275.602289
where:
bonds (distance) C4'-P energy: -62.962
bonds (distance) P-C4' energy: -53.707
flat angles C4'-P-C4' energy: -73.384
flat angles P-C4'-P energy: -49.461
tors. eta vs tors. theta energy: -36.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -654.482024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.482024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.482024 (E_RNA)
where:
Base-Base interactions energy: -397.725
where: short stacking energy: -185.665
Base-Backbone interact. energy: -3.344
local terms energy: -253.413074
where:
bonds (distance) C4'-P energy: -68.607
bonds (distance) P-C4' energy: -50.631
flat angles C4'-P-C4' energy: -57.447
flat angles P-C4'-P energy: -41.472
tors. eta vs tors. theta energy: -35.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -380.524603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.524603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.524603 (E_RNA)
where:
Base-Base interactions energy: -141.700
where: short stacking energy: -90.159
Base-Backbone interact. energy: -2.209
local terms energy: -236.615372
where:
bonds (distance) C4'-P energy: -69.411
bonds (distance) P-C4' energy: -72.775
flat angles C4'-P-C4' energy: -61.757
flat angles P-C4'-P energy: -29.810
tors. eta vs tors. theta energy: -2.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -299.285159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.285159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.285159 (E_RNA)
where:
Base-Base interactions energy: -98.851
where: short stacking energy: -81.858
Base-Backbone interact. energy: 0.971
local terms energy: -201.405151
where:
bonds (distance) C4'-P energy: -62.657
bonds (distance) P-C4' energy: -59.376
flat angles C4'-P-C4' energy: -62.432
flat angles P-C4'-P energy: -30.111
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: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1326.879585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.879585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.879585 (E_RNA)
where:
Base-Base interactions energy: -903.029
where: short stacking energy: -383.787
Base-Backbone interact. energy: 0.428
local terms energy: -424.277690
where:
bonds (distance) C4'-P energy: -78.457
bonds (distance) P-C4' energy: -74.900
flat angles C4'-P-C4' energy: -85.958
flat angles P-C4'-P energy: -64.118
tors. eta vs tors. theta energy: -120.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1265.681982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.681982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.681982 (E_RNA)
where:
Base-Base interactions energy: -851.085
where: short stacking energy: -370.538
Base-Backbone interact. energy: -2.192
local terms energy: -412.405067
where:
bonds (distance) C4'-P energy: -74.117
bonds (distance) P-C4' energy: -76.114
flat angles C4'-P-C4' energy: -81.866
flat angles P-C4'-P energy: -58.088
tors. eta vs tors. theta energy: -122.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1231.115927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.115927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.115927 (E_RNA)
where:
Base-Base interactions energy: -819.701
where: short stacking energy: -338.727
Base-Backbone interact. energy: -1.020
local terms energy: -410.395147
where:
bonds (distance) C4'-P energy: -73.014
bonds (distance) P-C4' energy: -74.153
flat angles C4'-P-C4' energy: -82.419
flat angles P-C4'-P energy: -62.300
tors. eta vs tors. theta energy: -118.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -1034.042572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.042572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.042572 (E_RNA)
where:
Base-Base interactions energy: -695.366
where: short stacking energy: -308.210
Base-Backbone interact. energy: -1.469
local terms energy: -337.207819
where:
bonds (distance) C4'-P energy: -71.109
bonds (distance) P-C4' energy: -81.504
flat angles C4'-P-C4' energy: -61.902
flat angles P-C4'-P energy: -48.929
tors. eta vs tors. theta energy: -73.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -935.250249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.250249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.250249 (E_RNA)
where:
Base-Base interactions energy: -619.083
where: short stacking energy: -269.965
Base-Backbone interact. energy: 0.259
local terms energy: -316.425890
where:
bonds (distance) C4'-P energy: -53.381
bonds (distance) P-C4' energy: -77.199
flat angles C4'-P-C4' energy: -73.407
flat angles P-C4'-P energy: -43.113
tors. eta vs tors. theta energy: -69.326
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: 3
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -921.412853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.412853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.412853 (E_RNA)
where:
Base-Base interactions energy: -598.961
where: short stacking energy: -260.554
Base-Backbone interact. energy: 1.709
local terms energy: -324.160160
where:
bonds (distance) C4'-P energy: -65.100
bonds (distance) P-C4' energy: -76.266
flat angles C4'-P-C4' energy: -65.178
flat angles P-C4'-P energy: -44.482
tors. eta vs tors. theta energy: -73.134
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: 5
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -786.484923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.484923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.484923 (E_RNA)
where:
Base-Base interactions energy: -491.084
where: short stacking energy: -217.489
Base-Backbone interact. energy: -1.753
local terms energy: -293.647453
where:
bonds (distance) C4'-P energy: -66.347
bonds (distance) P-C4' energy: -62.846
flat angles C4'-P-C4' energy: -66.471
flat angles P-C4'-P energy: -42.331
tors. eta vs tors. theta energy: -55.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -581.422607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.422607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.422607 (E_RNA)
where:
Base-Base interactions energy: -337.769
where: short stacking energy: -157.538
Base-Backbone interact. energy: -0.516
local terms energy: -243.137614
where:
bonds (distance) C4'-P energy: -70.788
bonds (distance) P-C4' energy: -53.573
flat angles C4'-P-C4' energy: -61.041
flat angles P-C4'-P energy: -27.416
tors. eta vs tors. theta energy: -30.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -364.961996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.961996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.961996 (E_RNA)
where:
Base-Base interactions energy: -150.141
where: short stacking energy: -100.529
Base-Backbone interact. energy: 0.831
local terms energy: -215.651926
where:
bonds (distance) C4'-P energy: -53.628
bonds (distance) P-C4' energy: -73.104
flat angles C4'-P-C4' energy: -58.249
flat angles P-C4'-P energy: -31.331
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: 10, replica: 4
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -321.062850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.062850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.062850 (E_RNA)
where:
Base-Base interactions energy: -118.740
where: short stacking energy: -77.981
Base-Backbone interact. energy: -2.007
local terms energy: -200.315107
where:
bonds (distance) C4'-P energy: -60.643
bonds (distance) P-C4' energy: -60.707
flat angles C4'-P-C4' energy: -51.884
flat angles P-C4'-P energy: -41.570
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: 1, replica: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1295.678840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.678840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.678840 (E_RNA)
where:
Base-Base interactions energy: -878.241
where: short stacking energy: -382.647
Base-Backbone interact. energy: -0.666
local terms energy: -416.771624
where:
bonds (distance) C4'-P energy: -77.468
bonds (distance) P-C4' energy: -77.214
flat angles C4'-P-C4' energy: -85.197
flat angles P-C4'-P energy: -61.453
tors. eta vs tors. theta energy: -115.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1238.255004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.255004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.255004 (E_RNA)
where:
Base-Base interactions energy: -841.802
where: short stacking energy: -363.435
Base-Backbone interact. energy: -1.202
local terms energy: -395.250778
where:
bonds (distance) C4'-P energy: -73.156
bonds (distance) P-C4' energy: -81.302
flat angles C4'-P-C4' energy: -75.957
flat angles P-C4'-P energy: -48.840
tors. eta vs tors. theta energy: -115.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1217.431717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.431717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.431717 (E_RNA)
where:
Base-Base interactions energy: -824.149
where: short stacking energy: -349.120
Base-Backbone interact. energy: -1.764
local terms energy: -391.518589
where:
bonds (distance) C4'-P energy: -76.571
bonds (distance) P-C4' energy: -73.643
flat angles C4'-P-C4' energy: -78.458
flat angles P-C4'-P energy: -52.502
tors. eta vs tors. theta energy: -110.345
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: 7
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1045.909242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.909242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.909242 (E_RNA)
where:
Base-Base interactions energy: -694.283
where: short stacking energy: -283.363
Base-Backbone interact. energy: -2.348
local terms energy: -349.278017
where:
bonds (distance) C4'-P energy: -76.588
bonds (distance) P-C4' energy: -78.811
flat angles C4'-P-C4' energy: -65.229
flat angles P-C4'-P energy: -47.953
tors. eta vs tors. theta energy: -80.696
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: 10
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -914.358218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.358218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.358218 (E_RNA)
where:
Base-Base interactions energy: -591.720
where: short stacking energy: -251.478
Base-Backbone interact. energy: 3.008
local terms energy: -325.646109
where:
bonds (distance) C4'-P energy: -60.104
bonds (distance) P-C4' energy: -66.146
flat angles C4'-P-C4' energy: -86.116
flat angles P-C4'-P energy: -48.761
tors. eta vs tors. theta energy: -64.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -913.984315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.984315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.984315 (E_RNA)
where:
Base-Base interactions energy: -582.176
where: short stacking energy: -274.118
Base-Backbone interact. energy: 4.566
local terms energy: -336.374261
where:
bonds (distance) C4'-P energy: -66.780
bonds (distance) P-C4' energy: -72.970
flat angles C4'-P-C4' energy: -64.278
flat angles P-C4'-P energy: -56.491
tors. eta vs tors. theta energy: -75.854
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: 7, replica: 5
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -789.816609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.816609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.816609 (E_RNA)
where:
Base-Base interactions energy: -497.150
where: short stacking energy: -219.295
Base-Backbone interact. energy: -1.579
local terms energy: -291.087984
where:
bonds (distance) C4'-P energy: -55.151
bonds (distance) P-C4' energy: -69.413
flat angles C4'-P-C4' energy: -55.294
flat angles P-C4'-P energy: -47.559
tors. eta vs tors. theta energy: -63.670
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: 8
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -568.029443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.029443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.029443 (E_RNA)
where:
Base-Base interactions energy: -345.815
where: short stacking energy: -147.447
Base-Backbone interact. energy: 0.593
local terms energy: -222.806987
where:
bonds (distance) C4'-P energy: -52.452
bonds (distance) P-C4' energy: -60.077
flat angles C4'-P-C4' energy: -61.241
flat angles P-C4'-P energy: -27.381
tors. eta vs tors. theta energy: -21.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -394.821545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.821545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.821545 (E_RNA)
where:
Base-Base interactions energy: -154.636
where: short stacking energy: -95.520
Base-Backbone interact. energy: 0.773
local terms energy: -240.958797
where:
bonds (distance) C4'-P energy: -62.741
bonds (distance) P-C4' energy: -72.236
flat angles C4'-P-C4' energy: -55.747
flat angles P-C4'-P energy: -39.510
tors. eta vs tors. theta energy: -10.725
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: 10, replica: 4
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -342.376044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.376044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.376044 (E_RNA)
where:
Base-Base interactions energy: -141.335
where: short stacking energy: -92.954
Base-Backbone interact. energy: -0.177
local terms energy: -200.863492
where:
bonds (distance) C4'-P energy: -67.124
bonds (distance) P-C4' energy: -62.986
flat angles C4'-P-C4' energy: -54.251
flat angles P-C4'-P energy: -25.246
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: 1, replica: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1278.936656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.936656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.936656 (E_RNA)
where:
Base-Base interactions energy: -876.180
where: short stacking energy: -366.547
Base-Backbone interact. energy: -0.891
local terms energy: -401.865724
where:
bonds (distance) C4'-P energy: -65.724
bonds (distance) P-C4' energy: -71.034
flat angles C4'-P-C4' energy: -86.759
flat angles P-C4'-P energy: -60.291
tors. eta vs tors. theta energy: -118.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1291.857883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.857883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.857883 (E_RNA)
where:
Base-Base interactions energy: -889.367
where: short stacking energy: -384.730
Base-Backbone interact. energy: -0.550
local terms energy: -401.940478
where:
bonds (distance) C4'-P energy: -77.262
bonds (distance) P-C4' energy: -69.433
flat angles C4'-P-C4' energy: -76.482
flat angles P-C4'-P energy: -60.240
tors. eta vs tors. theta energy: -118.523
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: 9
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1227.412952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.412952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.412952 (E_RNA)
where:
Base-Base interactions energy: -845.650
where: short stacking energy: -351.196
Base-Backbone interact. energy: 1.138
local terms energy: -382.901571
where:
bonds (distance) C4'-P energy: -67.503
bonds (distance) P-C4' energy: -68.082
flat angles C4'-P-C4' energy: -85.591
flat angles P-C4'-P energy: -54.447
tors. eta vs tors. theta energy: -107.279
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: 7
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1052.357298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.357298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.357298 (E_RNA)
where:
Base-Base interactions energy: -701.707
where: short stacking energy: -310.704
Base-Backbone interact. energy: -0.652
local terms energy: -349.997820
where:
bonds (distance) C4'-P energy: -79.021
bonds (distance) P-C4' energy: -59.163
flat angles C4'-P-C4' energy: -70.940
flat angles P-C4'-P energy: -50.140
tors. eta vs tors. theta energy: -90.735
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: 3
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -962.165625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.165625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.165625 (E_RNA)
where:
Base-Base interactions energy: -630.273
where: short stacking energy: -274.349
Base-Backbone interact. energy: -2.962
local terms energy: -328.930166
where:
bonds (distance) C4'-P energy: -67.719
bonds (distance) P-C4' energy: -66.474
flat angles C4'-P-C4' energy: -64.806
flat angles P-C4'-P energy: -47.332
tors. eta vs tors. theta energy: -82.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -889.688911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.688911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.688911 (E_RNA)
where:
Base-Base interactions energy: -577.356
where: short stacking energy: -245.637
Base-Backbone interact. energy: -1.956
local terms energy: -310.376721
where:
bonds (distance) C4'-P energy: -55.944
bonds (distance) P-C4' energy: -68.273
flat angles C4'-P-C4' energy: -74.821
flat angles P-C4'-P energy: -45.759
tors. eta vs tors. theta energy: -65.580
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: 5
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -775.791834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.791834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.791834 (E_RNA)
where:
Base-Base interactions energy: -508.260
where: short stacking energy: -239.609
Base-Backbone interact. energy: 1.452
local terms energy: -268.983706
where:
bonds (distance) C4'-P energy: -59.785
bonds (distance) P-C4' energy: -60.676
flat angles C4'-P-C4' energy: -63.455
flat angles P-C4'-P energy: -40.778
tors. eta vs tors. theta energy: -44.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -573.308799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.308799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.308799 (E_RNA)
where:
Base-Base interactions energy: -331.480
where: short stacking energy: -161.515
Base-Backbone interact. energy: 0.633
local terms energy: -242.461590
where:
bonds (distance) C4'-P energy: -56.384
bonds (distance) P-C4' energy: -67.691
flat angles C4'-P-C4' energy: -59.761
flat angles P-C4'-P energy: -40.922
tors. eta vs tors. theta energy: -17.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -346.459088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.459088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.459088 (E_RNA)
where:
Base-Base interactions energy: -150.410
where: short stacking energy: -94.459
Base-Backbone interact. energy: -2.046
local terms energy: -194.002757
where:
bonds (distance) C4'-P energy: -61.267
bonds (distance) P-C4' energy: -54.911
flat angles C4'-P-C4' energy: -57.030
flat angles P-C4'-P energy: -39.659
tors. eta vs tors. theta energy: 18.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -336.412088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.412088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.412088 (E_RNA)
where:
Base-Base interactions energy: -129.191
where: short stacking energy: -80.718
Base-Backbone interact. energy: -1.526
local terms energy: -205.694513
where:
bonds (distance) C4'-P energy: -54.032
bonds (distance) P-C4' energy: -60.702
flat angles C4'-P-C4' energy: -66.753
flat angles P-C4'-P energy: -26.393
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: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1281.411628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.411628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.411628 (E_RNA)
where:
Base-Base interactions energy: -876.242
where: short stacking energy: -368.860
Base-Backbone interact. energy: -2.766
local terms energy: -402.403858
where:
bonds (distance) C4'-P energy: -71.952
bonds (distance) P-C4' energy: -77.092
flat angles C4'-P-C4' energy: -79.987
flat angles P-C4'-P energy: -57.103
tors. eta vs tors. theta energy: -116.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1292.443005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.443005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.443005 (E_RNA)
where:
Base-Base interactions energy: -905.701
where: short stacking energy: -373.465
Base-Backbone interact. energy: -0.561
local terms energy: -386.180529
where:
bonds (distance) C4'-P energy: -71.487
bonds (distance) P-C4' energy: -63.786
flat angles C4'-P-C4' energy: -81.409
flat angles P-C4'-P energy: -54.789
tors. eta vs tors. theta energy: -114.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1211.443403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.443403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.443403 (E_RNA)
where:
Base-Base interactions energy: -824.649
where: short stacking energy: -347.221
Base-Backbone interact. energy: -1.755
local terms energy: -385.039946
where:
bonds (distance) C4'-P energy: -74.795
bonds (distance) P-C4' energy: -74.785
flat angles C4'-P-C4' energy: -84.364
flat angles P-C4'-P energy: -47.182
tors. eta vs tors. theta energy: -103.914
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: 7
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1029.140634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.140634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.140634 (E_RNA)
where:
Base-Base interactions energy: -683.207
where: short stacking energy: -295.567
Base-Backbone interact. energy: -2.132
local terms energy: -343.801791
where:
bonds (distance) C4'-P energy: -69.283
bonds (distance) P-C4' energy: -76.415
flat angles C4'-P-C4' energy: -69.355
flat angles P-C4'-P energy: -47.037
tors. eta vs tors. theta energy: -81.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -959.908816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.908816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.908816 (E_RNA)
where:
Base-Base interactions energy: -642.640
where: short stacking energy: -307.615
Base-Backbone interact. energy: 0.395
local terms energy: -317.663606
where:
bonds (distance) C4'-P energy: -57.466
bonds (distance) P-C4' energy: -64.290
flat angles C4'-P-C4' energy: -71.170
flat angles P-C4'-P energy: -39.859
tors. eta vs tors. theta energy: -84.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -888.623708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.623708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.623708 (E_RNA)
where:
Base-Base interactions energy: -583.421
where: short stacking energy: -264.960
Base-Backbone interact. energy: 0.513
local terms energy: -305.715547
where:
bonds (distance) C4'-P energy: -67.773
bonds (distance) P-C4' energy: -66.704
flat angles C4'-P-C4' energy: -63.746
flat angles P-C4'-P energy: -47.002
tors. eta vs tors. theta energy: -60.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -804.172788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.172788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.172788 (E_RNA)
where:
Base-Base interactions energy: -521.398
where: short stacking energy: -232.580
Base-Backbone interact. energy: -0.047
local terms energy: -282.727457
where:
bonds (distance) C4'-P energy: -54.809
bonds (distance) P-C4' energy: -73.035
flat angles C4'-P-C4' energy: -69.072
flat angles P-C4'-P energy: -32.375
tors. eta vs tors. theta energy: -53.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -576.947907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.947907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.947907 (E_RNA)
where:
Base-Base interactions energy: -339.041
where: short stacking energy: -164.066
Base-Backbone interact. energy: -0.681
local terms energy: -237.225462
where:
bonds (distance) C4'-P energy: -72.780
bonds (distance) P-C4' energy: -65.549
flat angles C4'-P-C4' energy: -53.318
flat angles P-C4'-P energy: -29.481
tors. eta vs tors. theta energy: -16.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -316.916306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.916306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.916306 (E_RNA)
where:
Base-Base interactions energy: -107.205
where: short stacking energy: -85.879
Base-Backbone interact. energy: 0.964
local terms energy: -210.675574
where:
bonds (distance) C4'-P energy: -64.429
bonds (distance) P-C4' energy: -66.200
flat angles C4'-P-C4' energy: -52.561
flat angles P-C4'-P energy: -40.192
tors. eta vs tors. theta energy: 12.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -405.037034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.037034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.037034 (E_RNA)
where:
Base-Base interactions energy: -200.812
where: short stacking energy: -102.491
Base-Backbone interact. energy: -1.090
local terms energy: -203.134802
where:
bonds (distance) C4'-P energy: -55.447
bonds (distance) P-C4' energy: -55.523
flat angles C4'-P-C4' energy: -56.682
flat angles P-C4'-P energy: -33.707
tors. eta vs tors. theta energy: -1.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1289.246397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.246397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.246397 (E_RNA)
where:
Base-Base interactions energy: -884.076
where: short stacking energy: -381.367
Base-Backbone interact. energy: -1.343
local terms energy: -403.827106
where:
bonds (distance) C4'-P energy: -77.742
bonds (distance) P-C4' energy: -68.587
flat angles C4'-P-C4' energy: -79.443
flat angles P-C4'-P energy: -59.104
tors. eta vs tors. theta energy: -118.951
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: 1
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1271.141026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.141026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.141026 (E_RNA)
where:
Base-Base interactions energy: -883.990
where: short stacking energy: -373.970
Base-Backbone interact. energy: -2.151
local terms energy: -385.000302
where:
bonds (distance) C4'-P energy: -62.209
bonds (distance) P-C4' energy: -69.702
flat angles C4'-P-C4' energy: -84.184
flat angles P-C4'-P energy: -48.524
tors. eta vs tors. theta energy: -120.381
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: 9
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1208.910246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.910246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.910246 (E_RNA)
where:
Base-Base interactions energy: -833.015
where: short stacking energy: -347.426
Base-Backbone interact. energy: -0.006
local terms energy: -375.888805
where:
bonds (distance) C4'-P energy: -57.660
bonds (distance) P-C4' energy: -71.639
flat angles C4'-P-C4' energy: -78.052
flat angles P-C4'-P energy: -57.517
tors. eta vs tors. theta energy: -111.020
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: 7
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1027.561833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.561833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.561833 (E_RNA)
where:
Base-Base interactions energy: -689.496
where: short stacking energy: -299.066
Base-Backbone interact. energy: -2.060
local terms energy: -336.005624
where:
bonds (distance) C4'-P energy: -68.773
bonds (distance) P-C4' energy: -71.880
flat angles C4'-P-C4' energy: -70.302
flat angles P-C4'-P energy: -45.444
tors. eta vs tors. theta energy: -79.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -924.068752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.068752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.068752 (E_RNA)
where:
Base-Base interactions energy: -607.748
where: short stacking energy: -280.329
Base-Backbone interact. energy: 0.497
local terms energy: -316.818508
where:
bonds (distance) C4'-P energy: -65.115
bonds (distance) P-C4' energy: -59.894
flat angles C4'-P-C4' energy: -73.880
flat angles P-C4'-P energy: -37.896
tors. eta vs tors. theta energy: -80.034
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: 6, replica: 10
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -885.480541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.480541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.480541 (E_RNA)
where:
Base-Base interactions energy: -597.822
where: short stacking energy: -247.037
Base-Backbone interact. energy: -1.585
local terms energy: -286.073540
where:
bonds (distance) C4'-P energy: -50.547
bonds (distance) P-C4' energy: -56.889
flat angles C4'-P-C4' energy: -74.757
flat angles P-C4'-P energy: -39.411
tors. eta vs tors. theta energy: -64.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -796.456924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.456924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.456924 (E_RNA)
where:
Base-Base interactions energy: -521.325
where: short stacking energy: -229.112
Base-Backbone interact. energy: 1.355
local terms energy: -276.487291
where:
bonds (distance) C4'-P energy: -62.620
bonds (distance) P-C4' energy: -50.633
flat angles C4'-P-C4' energy: -72.329
flat angles P-C4'-P energy: -39.745
tors. eta vs tors. theta energy: -51.161
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: 8
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -602.953825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.953825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.953825 (E_RNA)
where:
Base-Base interactions energy: -331.341
where: short stacking energy: -181.295
Base-Backbone interact. energy: -0.653
local terms energy: -270.959870
where:
bonds (distance) C4'-P energy: -70.473
bonds (distance) P-C4' energy: -61.144
flat angles C4'-P-C4' energy: -64.296
flat angles P-C4'-P energy: -22.931
tors. eta vs tors. theta energy: -52.116
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: 9, replica: 6
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -460.069661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.069661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.069661 (E_RNA)
where:
Base-Base interactions energy: -218.502
where: short stacking energy: -103.030
Base-Backbone interact. energy: -0.219
local terms energy: -241.349299
where:
bonds (distance) C4'-P energy: -70.050
bonds (distance) P-C4' energy: -59.118
flat angles C4'-P-C4' energy: -64.516
flat angles P-C4'-P energy: -41.819
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: 4
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -285.615819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.615819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.615819 (E_RNA)
where:
Base-Base interactions energy: -94.824
where: short stacking energy: -82.818
Base-Backbone interact. energy: 0.568
local terms energy: -191.359089
where:
bonds (distance) C4'-P energy: -55.272
bonds (distance) P-C4' energy: -60.600
flat angles C4'-P-C4' energy: -45.561
flat angles P-C4'-P energy: -32.195
tors. eta vs tors. theta energy: 2.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1317.038269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.038269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.038269 (E_RNA)
where:
Base-Base interactions energy: -896.126
where: short stacking energy: -377.829
Base-Backbone interact. energy: 0.125
local terms energy: -421.037275
where:
bonds (distance) C4'-P energy: -79.170
bonds (distance) P-C4' energy: -77.560
flat angles C4'-P-C4' energy: -86.186
flat angles P-C4'-P energy: -59.170
tors. eta vs tors. theta energy: -118.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1206.188605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.188605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.188605 (E_RNA)
where:
Base-Base interactions energy: -835.560
where: short stacking energy: -351.323
Base-Backbone interact. energy: 1.037
local terms energy: -371.665631
where:
bonds (distance) C4'-P energy: -61.932
bonds (distance) P-C4' energy: -68.534
flat angles C4'-P-C4' energy: -80.320
flat angles P-C4'-P energy: -51.483
tors. eta vs tors. theta energy: -109.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1200.629788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.629788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.629788 (E_RNA)
where:
Base-Base interactions energy: -816.082
where: short stacking energy: -351.095
Base-Backbone interact. energy: -2.045
local terms energy: -382.502701
where:
bonds (distance) C4'-P energy: -75.606
bonds (distance) P-C4' energy: -60.165
flat angles C4'-P-C4' energy: -76.469
flat angles P-C4'-P energy: -56.968
tors. eta vs tors. theta energy: -113.295
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: 7
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1026.128228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.128228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.128228 (E_RNA)
where:
Base-Base interactions energy: -689.332
where: short stacking energy: -278.101
Base-Backbone interact. energy: 0.167
local terms energy: -336.963344
where:
bonds (distance) C4'-P energy: -61.368
bonds (distance) P-C4' energy: -78.718
flat angles C4'-P-C4' energy: -77.591
flat angles P-C4'-P energy: -41.857
tors. eta vs tors. theta energy: -77.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -935.360076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.360076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.360076 (E_RNA)
where:
Base-Base interactions energy: -601.822
where: short stacking energy: -266.323
Base-Backbone interact. energy: -0.327
local terms energy: -333.210716
where:
bonds (distance) C4'-P energy: -71.246
bonds (distance) P-C4' energy: -67.716
flat angles C4'-P-C4' energy: -78.662
flat angles P-C4'-P energy: -47.732
tors. eta vs tors. theta energy: -67.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -882.691959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.691959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.691959 (E_RNA)
where:
Base-Base interactions energy: -585.877
where: short stacking energy: -285.422
Base-Backbone interact. energy: 2.638
local terms energy: -299.453689
where:
bonds (distance) C4'-P energy: -61.117
bonds (distance) P-C4' energy: -61.554
flat angles C4'-P-C4' energy: -65.487
flat angles P-C4'-P energy: -36.897
tors. eta vs tors. theta energy: -74.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -772.461823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.461823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.461823 (E_RNA)
where:
Base-Base interactions energy: -490.477
where: short stacking energy: -202.666
Base-Backbone interact. energy: -0.883
local terms energy: -281.101310
where:
bonds (distance) C4'-P energy: -55.359
bonds (distance) P-C4' energy: -73.540
flat angles C4'-P-C4' energy: -62.743
flat angles P-C4'-P energy: -38.913
tors. eta vs tors. theta energy: -50.547
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: 8
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -655.254743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.254743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.254743 (E_RNA)
where:
Base-Base interactions energy: -401.408
where: short stacking energy: -172.297
Base-Backbone interact. energy: -2.319
local terms energy: -251.528136
where:
bonds (distance) C4'-P energy: -50.903
bonds (distance) P-C4' energy: -58.786
flat angles C4'-P-C4' energy: -79.732
flat angles P-C4'-P energy: -30.252
tors. eta vs tors. theta energy: -31.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -396.067948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.067948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.067948 (E_RNA)
where:
Base-Base interactions energy: -181.431
where: short stacking energy: -108.139
Base-Backbone interact. energy: 1.670
local terms energy: -216.307400
where:
bonds (distance) C4'-P energy: -65.622
bonds (distance) P-C4' energy: -67.419
flat angles C4'-P-C4' energy: -44.462
flat angles P-C4'-P energy: -39.951
tors. eta vs tors. theta energy: 1.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -298.867939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.867939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.867939 (E_RNA)
where:
Base-Base interactions energy: -93.160
where: short stacking energy: -74.990
Base-Backbone interact. energy: 1.085
local terms energy: -206.793279
where:
bonds (distance) C4'-P energy: -62.667
bonds (distance) P-C4' energy: -66.450
flat angles C4'-P-C4' energy: -47.051
flat angles P-C4'-P energy: -34.311
tors. eta vs tors. theta energy: 3.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1306.121382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.121382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.121382 (E_RNA)
where:
Base-Base interactions energy: -885.970
where: short stacking energy: -376.520
Base-Backbone interact. energy: -1.217
local terms energy: -418.934345
where:
bonds (distance) C4'-P energy: -70.003
bonds (distance) P-C4' energy: -80.323
flat angles C4'-P-C4' energy: -80.397
flat angles P-C4'-P energy: -67.482
tors. eta vs tors. theta energy: -120.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1235.278254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.278254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.278254 (E_RNA)
where:
Base-Base interactions energy: -828.312
where: short stacking energy: -344.031
Base-Backbone interact. energy: 1.162
local terms energy: -408.128535
where:
bonds (distance) C4'-P energy: -72.454
bonds (distance) P-C4' energy: -81.741
flat angles C4'-P-C4' energy: -82.471
flat angles P-C4'-P energy: -62.504
tors. eta vs tors. theta energy: -108.959
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: 1
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1220.094435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.094435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.094435 (E_RNA)
where:
Base-Base interactions energy: -830.586
where: short stacking energy: -357.109
Base-Backbone interact. energy: -1.042
local terms energy: -388.465712
where:
bonds (distance) C4'-P energy: -71.673
bonds (distance) P-C4' energy: -73.472
flat angles C4'-P-C4' energy: -79.862
flat angles P-C4'-P energy: -52.679
tors. eta vs tors. theta energy: -110.781
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: 7
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1022.369921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.369921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.369921 (E_RNA)
where:
Base-Base interactions energy: -678.605
where: short stacking energy: -293.470
Base-Backbone interact. energy: -1.123
local terms energy: -342.641846
where:
bonds (distance) C4'-P energy: -70.851
bonds (distance) P-C4' energy: -64.078
flat angles C4'-P-C4' energy: -76.670
flat angles P-C4'-P energy: -54.768
tors. eta vs tors. theta energy: -76.274
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: 3
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -935.826713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.826713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.826713 (E_RNA)
where:
Base-Base interactions energy: -619.917
where: short stacking energy: -278.189
Base-Backbone interact. energy: -1.732
local terms energy: -314.176986
where:
bonds (distance) C4'-P energy: -62.210
bonds (distance) P-C4' energy: -68.330
flat angles C4'-P-C4' energy: -72.133
flat angles P-C4'-P energy: -34.071
tors. eta vs tors. theta energy: -77.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -899.078990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.078990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.078990 (E_RNA)
where:
Base-Base interactions energy: -608.443
where: short stacking energy: -267.227
Base-Backbone interact. energy: -1.202
local terms energy: -289.433442
where:
bonds (distance) C4'-P energy: -60.285
bonds (distance) P-C4' energy: -64.959
flat angles C4'-P-C4' energy: -70.943
flat angles P-C4'-P energy: -32.186
tors. eta vs tors. theta energy: -61.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -813.472442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.472442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.472442 (E_RNA)
where:
Base-Base interactions energy: -538.420
where: short stacking energy: -230.100
Base-Backbone interact. energy: -1.099
local terms energy: -273.953944
where:
bonds (distance) C4'-P energy: -61.085
bonds (distance) P-C4' energy: -73.780
flat angles C4'-P-C4' energy: -56.577
flat angles P-C4'-P energy: -36.230
tors. eta vs tors. theta energy: -46.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -610.925052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.925052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.925052 (E_RNA)
where:
Base-Base interactions energy: -376.988
where: short stacking energy: -170.768
Base-Backbone interact. energy: -2.203
local terms energy: -231.734487
where:
bonds (distance) C4'-P energy: -48.126
bonds (distance) P-C4' energy: -68.290
flat angles C4'-P-C4' energy: -58.894
flat angles P-C4'-P energy: -25.911
tors. eta vs tors. theta energy: -30.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -392.980443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.980443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.980443 (E_RNA)
where:
Base-Base interactions energy: -190.703
where: short stacking energy: -126.820
Base-Backbone interact. energy: -1.020
local terms energy: -201.257659
where:
bonds (distance) C4'-P energy: -61.422
bonds (distance) P-C4' energy: -51.621
flat angles C4'-P-C4' energy: -51.727
flat angles P-C4'-P energy: -21.276
tors. eta vs tors. theta energy: -15.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -311.238946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.238946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.238946 (E_RNA)
where:
Base-Base interactions energy: -104.977
where: short stacking energy: -77.379
Base-Backbone interact. energy: -0.643
local terms energy: -205.618464
where:
bonds (distance) C4'-P energy: -61.319
bonds (distance) P-C4' energy: -54.377
flat angles C4'-P-C4' energy: -67.681
flat angles P-C4'-P energy: -28.774
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: 1, replica: 2
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1299.633320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.633320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.633320 (E_RNA)
where:
Base-Base interactions energy: -907.219
where: short stacking energy: -386.868
Base-Backbone interact. energy: -1.193
local terms energy: -391.222058
where:
bonds (distance) C4'-P energy: -66.235
bonds (distance) P-C4' energy: -69.716
flat angles C4'-P-C4' energy: -77.974
flat angles P-C4'-P energy: -59.070
tors. eta vs tors. theta energy: -118.226
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: 1
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1250.593523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.593523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.593523 (E_RNA)
where:
Base-Base interactions energy: -859.253
where: short stacking energy: -376.025
Base-Backbone interact. energy: -1.760
local terms energy: -389.579733
where:
bonds (distance) C4'-P energy: -56.798
bonds (distance) P-C4' energy: -83.295
flat angles C4'-P-C4' energy: -85.376
flat angles P-C4'-P energy: -46.791
tors. eta vs tors. theta energy: -117.320
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: 3, replica: 9
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1211.589482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.589482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.589482 (E_RNA)
where:
Base-Base interactions energy: -829.072
where: short stacking energy: -351.823
Base-Backbone interact. energy: 0.170
local terms energy: -382.687132
where:
bonds (distance) C4'-P energy: -75.972
bonds (distance) P-C4' energy: -70.383
flat angles C4'-P-C4' energy: -78.551
flat angles P-C4'-P energy: -50.888
tors. eta vs tors. theta energy: -106.893
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: 7
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1033.514319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.514319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.514319 (E_RNA)
where:
Base-Base interactions energy: -697.378
where: short stacking energy: -299.572
Base-Backbone interact. energy: -1.653
local terms energy: -334.483215
where:
bonds (distance) C4'-P energy: -68.097
bonds (distance) P-C4' energy: -61.915
flat angles C4'-P-C4' energy: -82.977
flat angles P-C4'-P energy: -40.665
tors. eta vs tors. theta energy: -80.829
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: 3
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -921.796016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.796016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.796016 (E_RNA)
where:
Base-Base interactions energy: -585.219
where: short stacking energy: -266.994
Base-Backbone interact. energy: -1.876
local terms energy: -334.701380
where:
bonds (distance) C4'-P energy: -72.406
bonds (distance) P-C4' energy: -71.173
flat angles C4'-P-C4' energy: -62.910
flat angles P-C4'-P energy: -52.353
tors. eta vs tors. theta energy: -75.860
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: 6, replica: 5
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -805.633974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.633974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.633974 (E_RNA)
where:
Base-Base interactions energy: -504.826
where: short stacking energy: -215.635
Base-Backbone interact. energy: -2.108
local terms energy: -298.699774
where:
bonds (distance) C4'-P energy: -68.637
bonds (distance) P-C4' energy: -68.766
flat angles C4'-P-C4' energy: -66.342
flat angles P-C4'-P energy: -46.371
tors. eta vs tors. theta energy: -48.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -880.373018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.373018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.373018 (E_RNA)
where:
Base-Base interactions energy: -583.583
where: short stacking energy: -262.607
Base-Backbone interact. energy: -1.317
local terms energy: -295.473943
where:
bonds (distance) C4'-P energy: -61.772
bonds (distance) P-C4' energy: -52.684
flat angles C4'-P-C4' energy: -64.996
flat angles P-C4'-P energy: -49.490
tors. eta vs tors. theta energy: -66.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -569.080228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.080228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.080228 (E_RNA)
where:
Base-Base interactions energy: -327.420
where: short stacking energy: -166.562
Base-Backbone interact. energy: -0.423
local terms energy: -241.236804
where:
bonds (distance) C4'-P energy: -68.076
bonds (distance) P-C4' energy: -64.992
flat angles C4'-P-C4' energy: -50.969
flat angles P-C4'-P energy: -33.670
tors. eta vs tors. theta energy: -23.530
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: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -420.649799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.649799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.649799 (E_RNA)
where:
Base-Base interactions energy: -205.231
where: short stacking energy: -126.215
Base-Backbone interact. energy: -0.665
local terms energy: -214.753842
where:
bonds (distance) C4'-P energy: -58.933
bonds (distance) P-C4' energy: -67.870
flat angles C4'-P-C4' energy: -50.511
flat angles P-C4'-P energy: -32.048
tors. eta vs tors. theta energy: -5.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -303.172825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.172825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.172825 (E_RNA)
where:
Base-Base interactions energy: -83.722
where: short stacking energy: -77.619
Base-Backbone interact. energy: -0.171
local terms energy: -219.280139
where:
bonds (distance) C4'-P energy: -59.989
bonds (distance) P-C4' energy: -70.718
flat angles C4'-P-C4' energy: -71.050
flat angles P-C4'-P energy: -36.995
tors. eta vs tors. theta energy: 19.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1302.890459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.890459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.890459 (E_RNA)
where:
Base-Base interactions energy: -892.198
where: short stacking energy: -376.355
Base-Backbone interact. energy: -0.629
local terms energy: -410.064298
where:
bonds (distance) C4'-P energy: -70.319
bonds (distance) P-C4' energy: -81.256
flat angles C4'-P-C4' energy: -84.311
flat angles P-C4'-P energy: -58.951
tors. eta vs tors. theta energy: -115.227
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: 1
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1249.260569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.260569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.260569 (E_RNA)
where:
Base-Base interactions energy: -835.828
where: short stacking energy: -362.701
Base-Backbone interact. energy: -4.922
local terms energy: -408.510649
where:
bonds (distance) C4'-P energy: -77.823
bonds (distance) P-C4' energy: -78.770
flat angles C4'-P-C4' energy: -78.630
flat angles P-C4'-P energy: -53.176
tors. eta vs tors. theta energy: -120.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1230.576470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.576470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.576470 (E_RNA)
where:
Base-Base interactions energy: -845.083
where: short stacking energy: -355.157
Base-Backbone interact. energy: 0.084
local terms energy: -385.577954
where:
bonds (distance) C4'-P energy: -62.329
bonds (distance) P-C4' energy: -69.791
flat angles C4'-P-C4' energy: -82.219
flat angles P-C4'-P energy: -52.710
tors. eta vs tors. theta energy: -118.530
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: 7
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -1031.759983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.759983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.759983 (E_RNA)
where:
Base-Base interactions energy: -686.465
where: short stacking energy: -310.551
Base-Backbone interact. energy: -0.679
local terms energy: -344.615959
where:
bonds (distance) C4'-P energy: -74.349
bonds (distance) P-C4' energy: -55.287
flat angles C4'-P-C4' energy: -67.457
flat angles P-C4'-P energy: -57.233
tors. eta vs tors. theta energy: -90.290
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: 3
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -896.413013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.413013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.413013 (E_RNA)
where:
Base-Base interactions energy: -581.437
where: short stacking energy: -281.035
Base-Backbone interact. energy: -1.510
local terms energy: -313.466726
where:
bonds (distance) C4'-P energy: -58.447
bonds (distance) P-C4' energy: -71.512
flat angles C4'-P-C4' energy: -68.340
flat angles P-C4'-P energy: -43.446
tors. eta vs tors. theta energy: -71.721
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: 5
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -792.597180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.597180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.597180 (E_RNA)
where:
Base-Base interactions energy: -504.137
where: short stacking energy: -221.804
Base-Backbone interact. energy: -2.253
local terms energy: -286.207151
where:
bonds (distance) C4'-P energy: -68.694
bonds (distance) P-C4' energy: -58.243
flat angles C4'-P-C4' energy: -60.164
flat angles P-C4'-P energy: -48.283
tors. eta vs tors. theta energy: -50.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -863.108678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.108678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.108678 (E_RNA)
where:
Base-Base interactions energy: -571.920
where: short stacking energy: -235.261
Base-Backbone interact. energy: -0.117
local terms energy: -291.071820
where:
bonds (distance) C4'-P energy: -55.245
bonds (distance) P-C4' energy: -66.415
flat angles C4'-P-C4' energy: -65.577
flat angles P-C4'-P energy: -47.522
tors. eta vs tors. theta energy: -56.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -558.019433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.019433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.019433 (E_RNA)
where:
Base-Base interactions energy: -293.623
where: short stacking energy: -141.322
Base-Backbone interact. energy: -0.273
local terms energy: -264.123406
where:
bonds (distance) C4'-P energy: -67.840
bonds (distance) P-C4' energy: -71.685
flat angles C4'-P-C4' energy: -58.594
flat angles P-C4'-P energy: -51.222
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: 9, replica: 6
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -342.024301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.024301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.024301 (E_RNA)
where:
Base-Base interactions energy: -144.388
where: short stacking energy: -90.508
Base-Backbone interact. energy: 2.067
local terms energy: -199.703156
where:
bonds (distance) C4'-P energy: -65.120
bonds (distance) P-C4' energy: -55.005
flat angles C4'-P-C4' energy: -55.300
flat angles P-C4'-P energy: -33.510
tors. eta vs tors. theta energy: 9.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -293.312573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.312573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.312573 (E_RNA)
where:
Base-Base interactions energy: -103.614
where: short stacking energy: -93.338
Base-Backbone interact. energy: 2.329
local terms energy: -192.026931
where:
bonds (distance) C4'-P energy: -51.909
bonds (distance) P-C4' energy: -51.572
flat angles C4'-P-C4' energy: -57.109
flat angles P-C4'-P energy: -33.174
tors. eta vs tors. theta energy: 1.737
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: 1, replica: 2
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1335.916805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.916805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.916805 (E_RNA)
where:
Base-Base interactions energy: -925.945
where: short stacking energy: -396.465
Base-Backbone interact. energy: -1.887
local terms energy: -408.084326
where:
bonds (distance) C4'-P energy: -62.215
bonds (distance) P-C4' energy: -75.188
flat angles C4'-P-C4' energy: -86.683
flat angles P-C4'-P energy: -61.778
tors. eta vs tors. theta energy: -122.220
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: 1
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1226.212199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.212199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.212199 (E_RNA)
where:
Base-Base interactions energy: -842.493
where: short stacking energy: -347.949
Base-Backbone interact. energy: 3.532
local terms energy: -387.250638
where:
bonds (distance) C4'-P energy: -68.411
bonds (distance) P-C4' energy: -63.933
flat angles C4'-P-C4' energy: -86.446
flat angles P-C4'-P energy: -57.702
tors. eta vs tors. theta energy: -110.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1238.399966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.399966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.399966 (E_RNA)
where:
Base-Base interactions energy: -852.920
where: short stacking energy: -360.389
Base-Backbone interact. energy: -0.427
local terms energy: -385.052945
where:
bonds (distance) C4'-P energy: -72.022
bonds (distance) P-C4' energy: -66.382
flat angles C4'-P-C4' energy: -80.203
flat angles P-C4'-P energy: -57.726
tors. eta vs tors. theta energy: -108.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -1030.755977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.755977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.755977 (E_RNA)
where:
Base-Base interactions energy: -694.132
where: short stacking energy: -293.458
Base-Backbone interact. energy: -2.228
local terms energy: -334.396137
where:
bonds (distance) C4'-P energy: -70.517
bonds (distance) P-C4' energy: -67.436
flat angles C4'-P-C4' energy: -75.564
flat angles P-C4'-P energy: -44.795
tors. eta vs tors. theta energy: -76.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -925.855680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.855680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.855680 (E_RNA)
where:
Base-Base interactions energy: -603.093
where: short stacking energy: -278.561
Base-Backbone interact. energy: 4.552
local terms energy: -327.314690
where:
bonds (distance) C4'-P energy: -66.061
bonds (distance) P-C4' energy: -76.207
flat angles C4'-P-C4' energy: -60.977
flat angles P-C4'-P energy: -57.083
tors. eta vs tors. theta energy: -66.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -843.196163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.196163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.196163 (E_RNA)
where:
Base-Base interactions energy: -547.204
where: short stacking energy: -241.821
Base-Backbone interact. energy: -1.138
local terms energy: -294.854271
where:
bonds (distance) C4'-P energy: -60.471
bonds (distance) P-C4' energy: -50.845
flat angles C4'-P-C4' energy: -73.559
flat angles P-C4'-P energy: -49.647
tors. eta vs tors. theta energy: -60.333
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: 5
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -787.338121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.338121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.338121 (E_RNA)
where:
Base-Base interactions energy: -501.791
where: short stacking energy: -237.960
Base-Backbone interact. energy: 2.414
local terms energy: -287.961218
where:
bonds (distance) C4'-P energy: -64.306
bonds (distance) P-C4' energy: -52.579
flat angles C4'-P-C4' energy: -72.827
flat angles P-C4'-P energy: -35.825
tors. eta vs tors. theta energy: -62.424
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: 8
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -604.708198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.708198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.708198 (E_RNA)
where:
Base-Base interactions energy: -342.291
where: short stacking energy: -179.637
Base-Backbone interact. energy: 0.097
local terms energy: -262.514211
where:
bonds (distance) C4'-P energy: -65.865
bonds (distance) P-C4' energy: -66.969
flat angles C4'-P-C4' energy: -60.667
flat angles P-C4'-P energy: -46.985
tors. eta vs tors. theta energy: -22.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -330.924505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.924505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.924505 (E_RNA)
where:
Base-Base interactions energy: -123.819
where: short stacking energy: -109.759
Base-Backbone interact. energy: -1.017
local terms energy: -206.088547
where:
bonds (distance) C4'-P energy: -56.935
bonds (distance) P-C4' energy: -61.177
flat angles C4'-P-C4' energy: -61.994
flat angles P-C4'-P energy: -30.408
tors. eta vs tors. theta energy: 4.426
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: 10, replica: 4
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -280.360596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.360596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.360596 (E_RNA)
where:
Base-Base interactions energy: -101.249
where: short stacking energy: -92.394
Base-Backbone interact. energy: -0.930
local terms energy: -178.181567
where:
bonds (distance) C4'-P energy: -66.193
bonds (distance) P-C4' energy: -65.947
flat angles C4'-P-C4' energy: -48.264
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: 15.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1326.009460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.009460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.009460 (E_RNA)
where:
Base-Base interactions energy: -921.494
where: short stacking energy: -396.122
Base-Backbone interact. energy: -0.951
local terms energy: -403.564164
where:
bonds (distance) C4'-P energy: -72.589
bonds (distance) P-C4' energy: -73.112
flat angles C4'-P-C4' energy: -82.076
flat angles P-C4'-P energy: -56.568
tors. eta vs tors. theta energy: -119.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1259.591566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.591566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.591566 (E_RNA)
where:
Base-Base interactions energy: -856.557
where: short stacking energy: -364.831
Base-Backbone interact. energy: -2.535
local terms energy: -400.499587
where:
bonds (distance) C4'-P energy: -79.462
bonds (distance) P-C4' energy: -70.193
flat angles C4'-P-C4' energy: -82.745
flat angles P-C4'-P energy: -51.166
tors. eta vs tors. theta energy: -116.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1191.964960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.964960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.964960 (E_RNA)
where:
Base-Base interactions energy: -806.001
where: short stacking energy: -328.312
Base-Backbone interact. energy: 2.404
local terms energy: -388.367925
where:
bonds (distance) C4'-P energy: -77.160
bonds (distance) P-C4' energy: -68.794
flat angles C4'-P-C4' energy: -76.795
flat angles P-C4'-P energy: -57.060
tors. eta vs tors. theta energy: -108.559
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: 7
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1053.164053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.164053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.164053 (E_RNA)
where:
Base-Base interactions energy: -700.253
where: short stacking energy: -308.664
Base-Backbone interact. energy: -0.557
local terms energy: -352.353784
where:
bonds (distance) C4'-P energy: -69.239
bonds (distance) P-C4' energy: -67.444
flat angles C4'-P-C4' energy: -79.088
flat angles P-C4'-P energy: -49.159
tors. eta vs tors. theta energy: -87.424
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: 3
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -889.697940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.697940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.697940 (E_RNA)
where:
Base-Base interactions energy: -565.021
where: short stacking energy: -261.296
Base-Backbone interact. energy: -0.346
local terms energy: -324.330779
where:
bonds (distance) C4'-P energy: -66.751
bonds (distance) P-C4' energy: -67.130
flat angles C4'-P-C4' energy: -70.561
flat angles P-C4'-P energy: -53.007
tors. eta vs tors. theta energy: -66.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -920.004381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.004381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.004381 (E_RNA)
where:
Base-Base interactions energy: -591.874
where: short stacking energy: -262.335
Base-Backbone interact. energy: -1.011
local terms energy: -327.119859
where:
bonds (distance) C4'-P energy: -69.953
bonds (distance) P-C4' energy: -67.619
flat angles C4'-P-C4' energy: -72.353
flat angles P-C4'-P energy: -46.430
tors. eta vs tors. theta energy: -70.765
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: 7, replica: 5
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -763.067711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.067711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.067711 (E_RNA)
where:
Base-Base interactions energy: -475.390
where: short stacking energy: -209.907
Base-Backbone interact. energy: -2.978
local terms energy: -284.699445
where:
bonds (distance) C4'-P energy: -59.287
bonds (distance) P-C4' energy: -67.484
flat angles C4'-P-C4' energy: -69.346
flat angles P-C4'-P energy: -40.749
tors. eta vs tors. theta energy: -47.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -577.512684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.512684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.512684 (E_RNA)
where:
Base-Base interactions energy: -313.653
where: short stacking energy: -161.824
Base-Backbone interact. energy: -0.206
local terms energy: -263.654441
where:
bonds (distance) C4'-P energy: -68.247
bonds (distance) P-C4' energy: -77.611
flat angles C4'-P-C4' energy: -50.298
flat angles P-C4'-P energy: -36.592
tors. eta vs tors. theta energy: -30.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -303.488514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.488514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.488514 (E_RNA)
where:
Base-Base interactions energy: -96.662
where: short stacking energy: -93.496
Base-Backbone interact. energy: -1.431
local terms energy: -205.395024
where:
bonds (distance) C4'-P energy: -56.905
bonds (distance) P-C4' energy: -68.806
flat angles C4'-P-C4' energy: -45.576
flat angles P-C4'-P energy: -37.493
tors. eta vs tors. theta energy: 3.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -313.959423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.959423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.959423 (E_RNA)
where:
Base-Base interactions energy: -86.007
where: short stacking energy: -86.391
Base-Backbone interact. energy: -1.526
local terms energy: -226.427059
where:
bonds (distance) C4'-P energy: -74.962
bonds (distance) P-C4' energy: -50.272
flat angles C4'-P-C4' energy: -55.521
flat angles P-C4'-P energy: -38.606
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: 1, replica: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1299.945315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.945315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.945315 (E_RNA)
where:
Base-Base interactions energy: -899.136
where: short stacking energy: -389.582
Base-Backbone interact. energy: -1.701
local terms energy: -399.108067
where:
bonds (distance) C4'-P energy: -70.568
bonds (distance) P-C4' energy: -73.278
flat angles C4'-P-C4' energy: -86.227
flat angles P-C4'-P energy: -50.825
tors. eta vs tors. theta energy: -118.209
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: 2, replica: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1249.373502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.373502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.373502 (E_RNA)
where:
Base-Base interactions energy: -863.377
where: short stacking energy: -389.285
Base-Backbone interact. energy: -4.222
local terms energy: -381.774159
where:
bonds (distance) C4'-P energy: -73.492
bonds (distance) P-C4' energy: -62.461
flat angles C4'-P-C4' energy: -76.951
flat angles P-C4'-P energy: -53.590
tors. eta vs tors. theta energy: -115.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1222.812172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.812172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.812172 (E_RNA)
where:
Base-Base interactions energy: -827.879
where: short stacking energy: -360.821
Base-Backbone interact. energy: -2.491
local terms energy: -392.442725
where:
bonds (distance) C4'-P energy: -68.060
bonds (distance) P-C4' energy: -80.874
flat angles C4'-P-C4' energy: -83.354
flat angles P-C4'-P energy: -50.346
tors. eta vs tors. theta energy: -109.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1023.905733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.905733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.905733 (E_RNA)
where:
Base-Base interactions energy: -702.180
where: short stacking energy: -284.529
Base-Backbone interact. energy: -1.115
local terms energy: -320.611156
where:
bonds (distance) C4'-P energy: -65.206
bonds (distance) P-C4' energy: -66.952
flat angles C4'-P-C4' energy: -67.199
flat angles P-C4'-P energy: -46.105
tors. eta vs tors. theta energy: -75.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -927.460053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.460053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.460053 (E_RNA)
where:
Base-Base interactions energy: -611.162
where: short stacking energy: -270.796
Base-Backbone interact. energy: -1.264
local terms energy: -315.034202
where:
bonds (distance) C4'-P energy: -46.284
bonds (distance) P-C4' energy: -63.882
flat angles C4'-P-C4' energy: -70.710
flat angles P-C4'-P energy: -51.562
tors. eta vs tors. theta energy: -82.596
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: 10
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -920.145907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.145907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.145907 (E_RNA)
where:
Base-Base interactions energy: -574.179
where: short stacking energy: -266.277
Base-Backbone interact. energy: -1.672
local terms energy: -344.295018
where:
bonds (distance) C4'-P energy: -77.275
bonds (distance) P-C4' energy: -75.203
flat angles C4'-P-C4' energy: -77.875
flat angles P-C4'-P energy: -45.991
tors. eta vs tors. theta energy: -67.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -764.326040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.326040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.326040 (E_RNA)
where:
Base-Base interactions energy: -482.295
where: short stacking energy: -230.196
Base-Backbone interact. energy: -1.215
local terms energy: -280.815839
where:
bonds (distance) C4'-P energy: -59.679
bonds (distance) P-C4' energy: -49.274
flat angles C4'-P-C4' energy: -68.635
flat angles P-C4'-P energy: -43.716
tors. eta vs tors. theta energy: -59.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -568.897673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.897673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.897673 (E_RNA)
where:
Base-Base interactions energy: -327.502
where: short stacking energy: -163.407
Base-Backbone interact. energy: 2.238
local terms energy: -243.633536
where:
bonds (distance) C4'-P energy: -56.588
bonds (distance) P-C4' energy: -55.857
flat angles C4'-P-C4' energy: -59.207
flat angles P-C4'-P energy: -45.480
tors. eta vs tors. theta energy: -26.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -303.942525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.942525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.942525 (E_RNA)
where:
Base-Base interactions energy: -106.991
where: short stacking energy: -80.900
Base-Backbone interact. energy: -1.312
local terms energy: -195.639780
where:
bonds (distance) C4'-P energy: -55.770
bonds (distance) P-C4' energy: -66.891
flat angles C4'-P-C4' energy: -58.811
flat angles P-C4'-P energy: -25.103
tors. eta vs tors. theta energy: 10.937
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: 343
Temperature: 1.350000
Total energy: -284.001665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.001665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.001665 (E_RNA)
where:
Base-Base interactions energy: -91.513
where: short stacking energy: -80.656
Base-Backbone interact. energy: 3.468
local terms energy: -195.956951
where:
bonds (distance) C4'-P energy: -72.666
bonds (distance) P-C4' energy: -64.042
flat angles C4'-P-C4' energy: -34.069
flat angles P-C4'-P energy: -34.530
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: 1, replica: 2
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1313.671393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.671393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.671393 (E_RNA)
where:
Base-Base interactions energy: -893.256
where: short stacking energy: -386.319
Base-Backbone interact. energy: 0.989
local terms energy: -421.404457
where:
bonds (distance) C4'-P energy: -81.651
bonds (distance) P-C4' energy: -68.110
flat angles C4'-P-C4' energy: -92.746
flat angles P-C4'-P energy: -65.591
tors. eta vs tors. theta energy: -113.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1253.374065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.374065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.374065 (E_RNA)
where:
Base-Base interactions energy: -876.242
where: short stacking energy: -368.684
Base-Backbone interact. energy: -3.671
local terms energy: -373.460309
where:
bonds (distance) C4'-P energy: -64.410
bonds (distance) P-C4' energy: -64.857
flat angles C4'-P-C4' energy: -81.117
flat angles P-C4'-P energy: -49.378
tors. eta vs tors. theta energy: -113.698
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: 9
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1242.504203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.504203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.504203 (E_RNA)
where:
Base-Base interactions energy: -851.971
where: short stacking energy: -362.204
Base-Backbone interact. energy: 1.061
local terms energy: -391.594702
where:
bonds (distance) C4'-P energy: -66.758
bonds (distance) P-C4' energy: -74.346
flat angles C4'-P-C4' energy: -77.547
flat angles P-C4'-P energy: -59.602
tors. eta vs tors. theta energy: -113.342
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: 7
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1019.590622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.590622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.590622 (E_RNA)
where:
Base-Base interactions energy: -694.383
where: short stacking energy: -282.961
Base-Backbone interact. energy: 0.049
local terms energy: -325.256563
where:
bonds (distance) C4'-P energy: -63.262
bonds (distance) P-C4' energy: -71.561
flat angles C4'-P-C4' energy: -69.483
flat angles P-C4'-P energy: -43.627
tors. eta vs tors. theta energy: -77.324
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: 10
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -956.504077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.504077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.504077 (E_RNA)
where:
Base-Base interactions energy: -628.269
where: short stacking energy: -280.705
Base-Backbone interact. energy: -0.106
local terms energy: -328.128943
where:
bonds (distance) C4'-P energy: -55.066
bonds (distance) P-C4' energy: -70.545
flat angles C4'-P-C4' energy: -72.563
flat angles P-C4'-P energy: -52.749
tors. eta vs tors. theta energy: -77.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -878.136735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.136735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.136735 (E_RNA)
where:
Base-Base interactions energy: -572.161
where: short stacking energy: -274.724
Base-Backbone interact. energy: 1.874
local terms energy: -307.849863
where:
bonds (distance) C4'-P energy: -65.161
bonds (distance) P-C4' energy: -56.306
flat angles C4'-P-C4' energy: -67.185
flat angles P-C4'-P energy: -40.630
tors. eta vs tors. theta energy: -78.568
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: 5
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -752.540043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.540043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.540043 (E_RNA)
where:
Base-Base interactions energy: -489.470
where: short stacking energy: -224.727
Base-Backbone interact. energy: 2.602
local terms energy: -265.672956
where:
bonds (distance) C4'-P energy: -47.035
bonds (distance) P-C4' energy: -61.418
flat angles C4'-P-C4' energy: -56.766
flat angles P-C4'-P energy: -49.706
tors. eta vs tors. theta energy: -50.748
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: 8, replica: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -600.347110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.347110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.347110 (E_RNA)
where:
Base-Base interactions energy: -342.733
where: short stacking energy: -173.636
Base-Backbone interact. energy: -1.329
local terms energy: -256.284571
where:
bonds (distance) C4'-P energy: -53.988
bonds (distance) P-C4' energy: -65.630
flat angles C4'-P-C4' energy: -69.992
flat angles P-C4'-P energy: -42.546
tors. eta vs tors. theta energy: -24.130
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: 6
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -302.926030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.926030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.926030 (E_RNA)
where:
Base-Base interactions energy: -107.265
where: short stacking energy: -91.136
Base-Backbone interact. energy: 1.000
local terms energy: -196.661383
where:
bonds (distance) C4'-P energy: -64.660
bonds (distance) P-C4' energy: -60.746
flat angles C4'-P-C4' energy: -57.458
flat angles P-C4'-P energy: -25.715
tors. eta vs tors. theta energy: 11.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -336.816262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.816262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.816262 (E_RNA)
where:
Base-Base interactions energy: -131.652
where: short stacking energy: -62.727
Base-Backbone interact. energy: 1.060
local terms energy: -206.224226
where:
bonds (distance) C4'-P energy: -56.351
bonds (distance) P-C4' energy: -73.637
flat angles C4'-P-C4' energy: -68.716
flat angles P-C4'-P energy: -22.238
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: 1, replica: 2
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1331.463233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.463233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.463233 (E_RNA)
where:
Base-Base interactions energy: -910.006
where: short stacking energy: -369.911
Base-Backbone interact. energy: -0.299
local terms energy: -421.158197
where:
bonds (distance) C4'-P energy: -82.891
bonds (distance) P-C4' energy: -77.724
flat angles C4'-P-C4' energy: -87.086
flat angles P-C4'-P energy: -61.035
tors. eta vs tors. theta energy: -112.421
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: 1
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1253.887699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.887699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.887699 (E_RNA)
where:
Base-Base interactions energy: -858.381
where: short stacking energy: -354.740
Base-Backbone interact. energy: -2.974
local terms energy: -392.532183
where:
bonds (distance) C4'-P energy: -74.373
bonds (distance) P-C4' energy: -73.889
flat angles C4'-P-C4' energy: -77.694
flat angles P-C4'-P energy: -54.869
tors. eta vs tors. theta energy: -111.708
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: 9
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1220.627368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.627368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.627368 (E_RNA)
where:
Base-Base interactions energy: -839.439
where: short stacking energy: -354.044
Base-Backbone interact. energy: -1.724
local terms energy: -379.464091
where:
bonds (distance) C4'-P energy: -64.566
bonds (distance) P-C4' energy: -67.844
flat angles C4'-P-C4' energy: -80.320
flat angles P-C4'-P energy: -52.063
tors. eta vs tors. theta energy: -114.672
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: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1034.884651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.884651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.884651 (E_RNA)
where:
Base-Base interactions energy: -687.713
where: short stacking energy: -299.081
Base-Backbone interact. energy: 0.138
local terms energy: -347.309763
where:
bonds (distance) C4'-P energy: -73.318
bonds (distance) P-C4' energy: -79.213
flat angles C4'-P-C4' energy: -69.897
flat angles P-C4'-P energy: -48.384
tors. eta vs tors. theta energy: -76.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -980.379392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.379392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.379392 (E_RNA)
where:
Base-Base interactions energy: -639.388
where: short stacking energy: -309.175
Base-Backbone interact. energy: -1.255
local terms energy: -339.736853
where:
bonds (distance) C4'-P energy: -58.558
bonds (distance) P-C4' energy: -72.398
flat angles C4'-P-C4' energy: -80.400
flat angles P-C4'-P energy: -50.785
tors. eta vs tors. theta energy: -77.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -857.159976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.159976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.159976 (E_RNA)
where:
Base-Base interactions energy: -532.809
where: short stacking energy: -250.565
Base-Backbone interact. energy: -0.993
local terms energy: -323.357293
where:
bonds (distance) C4'-P energy: -62.987
bonds (distance) P-C4' energy: -73.373
flat angles C4'-P-C4' energy: -79.524
flat angles P-C4'-P energy: -49.768
tors. eta vs tors. theta energy: -57.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -738.706335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.706335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.706335 (E_RNA)
where:
Base-Base interactions energy: -458.215
where: short stacking energy: -198.610
Base-Backbone interact. energy: -0.897
local terms energy: -279.594484
where:
bonds (distance) C4'-P energy: -53.170
bonds (distance) P-C4' energy: -70.625
flat angles C4'-P-C4' energy: -65.801
flat angles P-C4'-P energy: -40.488
tors. eta vs tors. theta energy: -49.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -580.173857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.173857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.173857 (E_RNA)
where:
Base-Base interactions energy: -329.030
where: short stacking energy: -157.785
Base-Backbone interact. energy: 2.080
local terms energy: -253.223332
where:
bonds (distance) C4'-P energy: -59.791
bonds (distance) P-C4' energy: -49.374
flat angles C4'-P-C4' energy: -65.542
flat angles P-C4'-P energy: -47.834
tors. eta vs tors. theta energy: -30.683
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: 345
Temperature: 1.300000
Total energy: -316.651856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.651856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.651856 (E_RNA)
where:
Base-Base interactions energy: -110.982
where: short stacking energy: -86.303
Base-Backbone interact. energy: 1.555
local terms energy: -207.224743
where:
bonds (distance) C4'-P energy: -52.607
bonds (distance) P-C4' energy: -54.310
flat angles C4'-P-C4' energy: -69.430
flat angles P-C4'-P energy: -35.323
tors. eta vs tors. theta energy: 4.445
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: 10, replica: 4
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -352.212380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.212380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.212380 (E_RNA)
where:
Base-Base interactions energy: -144.105
where: short stacking energy: -92.663
Base-Backbone interact. energy: -0.367
local terms energy: -207.739901
where:
bonds (distance) C4'-P energy: -56.859
bonds (distance) P-C4' energy: -70.358
flat angles C4'-P-C4' energy: -53.009
flat angles P-C4'-P energy: -29.381
tors. eta vs tors. theta energy: 1.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1311.530036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.530036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.530036 (E_RNA)
where:
Base-Base interactions energy: -908.911
where: short stacking energy: -379.232
Base-Backbone interact. energy: -1.020
local terms energy: -401.598806
where:
bonds (distance) C4'-P energy: -63.749
bonds (distance) P-C4' energy: -75.348
flat angles C4'-P-C4' energy: -91.613
flat angles P-C4'-P energy: -53.254
tors. eta vs tors. theta energy: -117.634
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: 1
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1260.713920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.713920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.713920 (E_RNA)
where:
Base-Base interactions energy: -857.026
where: short stacking energy: -359.625
Base-Backbone interact. energy: -2.547
local terms energy: -401.141828
where:
bonds (distance) C4'-P energy: -76.699
bonds (distance) P-C4' energy: -72.932
flat angles C4'-P-C4' energy: -83.930
flat angles P-C4'-P energy: -52.069
tors. eta vs tors. theta energy: -115.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1213.465021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.465021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.465021 (E_RNA)
where:
Base-Base interactions energy: -838.563
where: short stacking energy: -349.286
Base-Backbone interact. energy: 1.149
local terms energy: -376.051142
where:
bonds (distance) C4'-P energy: -70.891
bonds (distance) P-C4' energy: -68.620
flat angles C4'-P-C4' energy: -77.170
flat angles P-C4'-P energy: -54.389
tors. eta vs tors. theta energy: -104.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -1044.026580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.026580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.026580 (E_RNA)
where:
Base-Base interactions energy: -696.102
where: short stacking energy: -293.688
Base-Backbone interact. energy: -0.112
local terms energy: -347.812381
where:
bonds (distance) C4'-P energy: -77.960
bonds (distance) P-C4' energy: -61.739
flat angles C4'-P-C4' energy: -78.419
flat angles P-C4'-P energy: -48.095
tors. eta vs tors. theta energy: -81.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -938.518830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.518830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.518830 (E_RNA)
where:
Base-Base interactions energy: -623.875
where: short stacking energy: -271.781
Base-Backbone interact. energy: 3.844
local terms energy: -318.487524
where:
bonds (distance) C4'-P energy: -52.406
bonds (distance) P-C4' energy: -61.560
flat angles C4'-P-C4' energy: -73.365
flat angles P-C4'-P energy: -52.678
tors. eta vs tors. theta energy: -78.479
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: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -865.280853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.280853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.280853 (E_RNA)
where:
Base-Base interactions energy: -556.139
where: short stacking energy: -236.029
Base-Backbone interact. energy: -2.391
local terms energy: -306.750455
where:
bonds (distance) C4'-P energy: -76.176
bonds (distance) P-C4' energy: -61.241
flat angles C4'-P-C4' energy: -60.254
flat angles P-C4'-P energy: -42.116
tors. eta vs tors. theta energy: -66.964
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: 5
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -766.413663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.413663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.413663 (E_RNA)
where:
Base-Base interactions energy: -480.134
where: short stacking energy: -210.518
Base-Backbone interact. energy: -1.495
local terms energy: -284.784699
where:
bonds (distance) C4'-P energy: -60.229
bonds (distance) P-C4' energy: -66.991
flat angles C4'-P-C4' energy: -72.003
flat angles P-C4'-P energy: -45.717
tors. eta vs tors. theta energy: -39.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -599.793273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.793273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.793273 (E_RNA)
where:
Base-Base interactions energy: -346.017
where: short stacking energy: -140.509
Base-Backbone interact. energy: 0.600
local terms energy: -254.375975
where:
bonds (distance) C4'-P energy: -68.807
bonds (distance) P-C4' energy: -65.249
flat angles C4'-P-C4' energy: -60.497
flat angles P-C4'-P energy: -42.596
tors. eta vs tors. theta energy: -17.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -397.746149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.746149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.746149 (E_RNA)
where:
Base-Base interactions energy: -171.201
where: short stacking energy: -105.286
Base-Backbone interact. energy: -2.439
local terms energy: -224.106619
where:
bonds (distance) C4'-P energy: -57.100
bonds (distance) P-C4' energy: -68.253
flat angles C4'-P-C4' energy: -57.066
flat angles P-C4'-P energy: -43.742
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: 6
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -307.979477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.979477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.979477 (E_RNA)
where:
Base-Base interactions energy: -98.007
where: short stacking energy: -69.852
Base-Backbone interact. energy: -2.149
local terms energy: -207.823921
where:
bonds (distance) C4'-P energy: -58.557
bonds (distance) P-C4' energy: -57.335
flat angles C4'-P-C4' energy: -71.759
flat angles P-C4'-P energy: -33.017
tors. eta vs tors. theta energy: 12.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1335.633027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.633027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.633027 (E_RNA)
where:
Base-Base interactions energy: -907.543
where: short stacking energy: -396.828
Base-Backbone interact. energy: -0.746
local terms energy: -427.343118
where:
bonds (distance) C4'-P energy: -72.936
bonds (distance) P-C4' energy: -79.156
flat angles C4'-P-C4' energy: -88.426
flat angles P-C4'-P energy: -63.277
tors. eta vs tors. theta energy: -123.547
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: 1
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1259.747277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.747277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.747277 (E_RNA)
where:
Base-Base interactions energy: -842.868
where: short stacking energy: -353.524
Base-Backbone interact. energy: -0.994
local terms energy: -415.884794
where:
bonds (distance) C4'-P energy: -72.899
bonds (distance) P-C4' energy: -74.609
flat angles C4'-P-C4' energy: -86.392
flat angles P-C4'-P energy: -58.081
tors. eta vs tors. theta energy: -123.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1234.214352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.214352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.214352 (E_RNA)
where:
Base-Base interactions energy: -856.778
where: short stacking energy: -371.723
Base-Backbone interact. energy: -1.681
local terms energy: -375.755487
where:
bonds (distance) C4'-P energy: -61.601
bonds (distance) P-C4' energy: -67.975
flat angles C4'-P-C4' energy: -90.446
flat angles P-C4'-P energy: -45.226
tors. eta vs tors. theta energy: -110.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -1023.922286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.922286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.922286 (E_RNA)
where:
Base-Base interactions energy: -670.162
where: short stacking energy: -287.202
Base-Backbone interact. energy: 0.383
local terms energy: -354.143330
where:
bonds (distance) C4'-P energy: -75.382
bonds (distance) P-C4' energy: -68.887
flat angles C4'-P-C4' energy: -79.219
flat angles P-C4'-P energy: -53.327
tors. eta vs tors. theta energy: -77.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -944.884794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.884794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.884794 (E_RNA)
where:
Base-Base interactions energy: -622.589
where: short stacking energy: -279.615
Base-Backbone interact. energy: -1.234
local terms energy: -321.061768
where:
bonds (distance) C4'-P energy: -71.818
bonds (distance) P-C4' energy: -60.102
flat angles C4'-P-C4' energy: -73.811
flat angles P-C4'-P energy: -44.455
tors. eta vs tors. theta energy: -70.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -872.091894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.091894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.091894 (E_RNA)
where:
Base-Base interactions energy: -550.067
where: short stacking energy: -265.905
Base-Backbone interact. energy: -2.103
local terms energy: -319.922039
where:
bonds (distance) C4'-P energy: -70.437
bonds (distance) P-C4' energy: -55.440
flat angles C4'-P-C4' energy: -70.766
flat angles P-C4'-P energy: -50.732
tors. eta vs tors. theta energy: -72.547
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: 5
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -765.399915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.399915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.399915 (E_RNA)
where:
Base-Base interactions energy: -486.204
where: short stacking energy: -223.746
Base-Backbone interact. energy: -0.835
local terms energy: -278.361460
where:
bonds (distance) C4'-P energy: -57.717
bonds (distance) P-C4' energy: -65.001
flat angles C4'-P-C4' energy: -65.204
flat angles P-C4'-P energy: -37.498
tors. eta vs tors. theta energy: -52.942
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: 8
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -583.161519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.161519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.161519 (E_RNA)
where:
Base-Base interactions energy: -344.814
where: short stacking energy: -177.302
Base-Backbone interact. energy: -2.097
local terms energy: -236.249945
where:
bonds (distance) C4'-P energy: -56.670
bonds (distance) P-C4' energy: -56.623
flat angles C4'-P-C4' energy: -60.731
flat angles P-C4'-P energy: -33.551
tors. eta vs tors. theta energy: -28.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -402.368965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.368965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.368965 (E_RNA)
where:
Base-Base interactions energy: -174.217
where: short stacking energy: -101.457
Base-Backbone interact. energy: -1.018
local terms energy: -227.134412
where:
bonds (distance) C4'-P energy: -60.073
bonds (distance) P-C4' energy: -78.152
flat angles C4'-P-C4' energy: -60.353
flat angles P-C4'-P energy: -22.248
tors. eta vs tors. theta energy: -6.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -278.298236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.298236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.298236 (E_RNA)
where:
Base-Base interactions energy: -76.389
where: short stacking energy: -54.040
Base-Backbone interact. energy: -3.955
local terms energy: -197.954411
where:
bonds (distance) C4'-P energy: -54.562
bonds (distance) P-C4' energy: -62.530
flat angles C4'-P-C4' energy: -59.335
flat angles P-C4'-P energy: -37.050
tors. eta vs tors. theta energy: 15.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1318.074644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.074644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.074644 (E_RNA)
where:
Base-Base interactions energy: -912.702
where: short stacking energy: -391.653
Base-Backbone interact. energy: -0.119
local terms energy: -405.253773
where:
bonds (distance) C4'-P energy: -77.791
bonds (distance) P-C4' energy: -72.841
flat angles C4'-P-C4' energy: -79.704
flat angles P-C4'-P energy: -58.048
tors. eta vs tors. theta energy: -116.869
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: 1
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1294.525637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.525637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.525637 (E_RNA)
where:
Base-Base interactions energy: -899.242
where: short stacking energy: -377.822
Base-Backbone interact. energy: -1.299
local terms energy: -393.984325
where:
bonds (distance) C4'-P energy: -62.246
bonds (distance) P-C4' energy: -73.518
flat angles C4'-P-C4' energy: -83.640
flat angles P-C4'-P energy: -59.010
tors. eta vs tors. theta energy: -115.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1254.069606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.069606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.069606 (E_RNA)
where:
Base-Base interactions energy: -864.902
where: short stacking energy: -367.185
Base-Backbone interact. energy: -3.655
local terms energy: -385.512730
where:
bonds (distance) C4'-P energy: -65.182
bonds (distance) P-C4' energy: -67.121
flat angles C4'-P-C4' energy: -82.846
flat angles P-C4'-P energy: -54.257
tors. eta vs tors. theta energy: -116.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1074.719684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.719684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.719684 (E_RNA)
where:
Base-Base interactions energy: -704.929
where: short stacking energy: -304.057
Base-Backbone interact. energy: -1.447
local terms energy: -368.343732
where:
bonds (distance) C4'-P energy: -76.334
bonds (distance) P-C4' energy: -78.037
flat angles C4'-P-C4' energy: -82.951
flat angles P-C4'-P energy: -44.918
tors. eta vs tors. theta energy: -86.104
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: 5, replica: 10
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -942.538647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.538647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.538647 (E_RNA)
where:
Base-Base interactions energy: -597.448
where: short stacking energy: -289.581
Base-Backbone interact. energy: -2.298
local terms energy: -342.791979
where:
bonds (distance) C4'-P energy: -67.088
bonds (distance) P-C4' energy: -72.331
flat angles C4'-P-C4' energy: -80.628
flat angles P-C4'-P energy: -47.901
tors. eta vs tors. theta energy: -74.845
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: 3
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -870.992228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.992228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.992228 (E_RNA)
where:
Base-Base interactions energy: -554.197
where: short stacking energy: -269.321
Base-Backbone interact. energy: -1.436
local terms energy: -315.358770
where:
bonds (distance) C4'-P energy: -69.215
bonds (distance) P-C4' energy: -63.385
flat angles C4'-P-C4' energy: -67.066
flat angles P-C4'-P energy: -44.192
tors. eta vs tors. theta energy: -71.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -758.286267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.286267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.286267 (E_RNA)
where:
Base-Base interactions energy: -484.399
where: short stacking energy: -222.563
Base-Backbone interact. energy: -0.715
local terms energy: -273.172358
where:
bonds (distance) C4'-P energy: -47.945
bonds (distance) P-C4' energy: -63.096
flat angles C4'-P-C4' energy: -68.561
flat angles P-C4'-P energy: -39.125
tors. eta vs tors. theta energy: -54.446
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: 8
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -541.382639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.382639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.382639 (E_RNA)
where:
Base-Base interactions energy: -315.504
where: short stacking energy: -154.432
Base-Backbone interact. energy: 0.482
local terms energy: -226.361227
where:
bonds (distance) C4'-P energy: -51.101
bonds (distance) P-C4' energy: -73.960
flat angles C4'-P-C4' energy: -51.010
flat angles P-C4'-P energy: -35.048
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: 9, replica: 4
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -418.579927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.579927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.579927 (E_RNA)
where:
Base-Base interactions energy: -214.987
where: short stacking energy: -125.323
Base-Backbone interact. energy: 1.984
local terms energy: -205.576897
where:
bonds (distance) C4'-P energy: -51.183
bonds (distance) P-C4' energy: -60.823
flat angles C4'-P-C4' energy: -63.159
flat angles P-C4'-P energy: -22.781
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: 10, replica: 6
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -322.783131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.783131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.783131 (E_RNA)
where:
Base-Base interactions energy: -131.661
where: short stacking energy: -105.705
Base-Backbone interact. energy: -1.778
local terms energy: -189.344123
where:
bonds (distance) C4'-P energy: -47.738
bonds (distance) P-C4' energy: -69.632
flat angles C4'-P-C4' energy: -48.843
flat angles P-C4'-P energy: -25.914
tors. eta vs tors. theta energy: 2.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1325.697059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.697059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.697059 (E_RNA)
where:
Base-Base interactions energy: -911.349
where: short stacking energy: -401.904
Base-Backbone interact. energy: -1.913
local terms energy: -412.435414
where:
bonds (distance) C4'-P energy: -69.058
bonds (distance) P-C4' energy: -75.285
flat angles C4'-P-C4' energy: -82.921
flat angles P-C4'-P energy: -62.751
tors. eta vs tors. theta energy: -122.420
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: 1
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1254.161037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.161037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.161037 (E_RNA)
where:
Base-Base interactions energy: -873.326
where: short stacking energy: -347.783
Base-Backbone interact. energy: 1.308
local terms energy: -382.142510
where:
bonds (distance) C4'-P energy: -64.416
bonds (distance) P-C4' energy: -68.397
flat angles C4'-P-C4' energy: -84.976
flat angles P-C4'-P energy: -49.303
tors. eta vs tors. theta energy: -115.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1233.187533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.187533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.187533 (E_RNA)
where:
Base-Base interactions energy: -851.348
where: short stacking energy: -361.075
Base-Backbone interact. energy: -0.766
local terms energy: -381.073408
where:
bonds (distance) C4'-P energy: -72.691
bonds (distance) P-C4' energy: -68.411
flat angles C4'-P-C4' energy: -71.550
flat angles P-C4'-P energy: -49.272
tors. eta vs tors. theta energy: -119.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1041.469047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.469047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.469047 (E_RNA)
where:
Base-Base interactions energy: -689.923
where: short stacking energy: -285.062
Base-Backbone interact. energy: -0.496
local terms energy: -351.050092
where:
bonds (distance) C4'-P energy: -66.180
bonds (distance) P-C4' energy: -74.299
flat angles C4'-P-C4' energy: -82.321
flat angles P-C4'-P energy: -49.134
tors. eta vs tors. theta energy: -79.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -959.885053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.885053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.885053 (E_RNA)
where:
Base-Base interactions energy: -623.941
where: short stacking energy: -274.332
Base-Backbone interact. energy: -1.884
local terms energy: -334.059986
where:
bonds (distance) C4'-P energy: -64.134
bonds (distance) P-C4' energy: -71.488
flat angles C4'-P-C4' energy: -70.954
flat angles P-C4'-P energy: -48.266
tors. eta vs tors. theta energy: -79.218
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: 6, replica: 3
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -850.127088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.127088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.127088 (E_RNA)
where:
Base-Base interactions energy: -551.135
where: short stacking energy: -266.410
Base-Backbone interact. energy: 0.518
local terms energy: -299.510473
where:
bonds (distance) C4'-P energy: -68.725
bonds (distance) P-C4' energy: -64.924
flat angles C4'-P-C4' energy: -66.180
flat angles P-C4'-P energy: -31.421
tors. eta vs tors. theta energy: -68.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -759.462231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.462231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.462231 (E_RNA)
where:
Base-Base interactions energy: -460.549
where: short stacking energy: -212.410
Base-Backbone interact. energy: -0.508
local terms energy: -298.405864
where:
bonds (distance) C4'-P energy: -68.451
bonds (distance) P-C4' energy: -63.134
flat angles C4'-P-C4' energy: -61.222
flat angles P-C4'-P energy: -47.379
tors. eta vs tors. theta energy: -58.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -534.521741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.521741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.521741 (E_RNA)
where:
Base-Base interactions energy: -288.998
where: short stacking energy: -160.251
Base-Backbone interact. energy: 4.375
local terms energy: -249.898921
where:
bonds (distance) C4'-P energy: -58.303
bonds (distance) P-C4' energy: -66.724
flat angles C4'-P-C4' energy: -64.792
flat angles P-C4'-P energy: -31.417
tors. eta vs tors. theta energy: -28.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -479.247967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.247967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.247967 (E_RNA)
where:
Base-Base interactions energy: -256.810
where: short stacking energy: -132.401
Base-Backbone interact. energy: 0.309
local terms energy: -222.746799
where:
bonds (distance) C4'-P energy: -60.874
bonds (distance) P-C4' energy: -65.306
flat angles C4'-P-C4' energy: -56.632
flat angles P-C4'-P energy: -23.007
tors. eta vs tors. theta energy: -16.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -307.795400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.795400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.795400 (E_RNA)
where:
Base-Base interactions energy: -128.874
where: short stacking energy: -90.096
Base-Backbone interact. energy: 1.535
local terms energy: -180.456902
where:
bonds (distance) C4'-P energy: -52.750
bonds (distance) P-C4' energy: -58.294
flat angles C4'-P-C4' energy: -46.922
flat angles P-C4'-P energy: -27.190
tors. eta vs tors. theta energy: 4.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1318.692859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.692859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.692859 (E_RNA)
where:
Base-Base interactions energy: -899.211
where: short stacking energy: -374.334
Base-Backbone interact. energy: -1.054
local terms energy: -418.427270
where:
bonds (distance) C4'-P energy: -74.591
bonds (distance) P-C4' energy: -81.099
flat angles C4'-P-C4' energy: -82.365
flat angles P-C4'-P energy: -59.214
tors. eta vs tors. theta energy: -121.158
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: 1
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1228.750786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.750786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.750786 (E_RNA)
where:
Base-Base interactions energy: -816.125
where: short stacking energy: -353.814
Base-Backbone interact. energy: -0.200
local terms energy: -412.425711
where:
bonds (distance) C4'-P energy: -65.766
bonds (distance) P-C4' energy: -83.269
flat angles C4'-P-C4' energy: -88.788
flat angles P-C4'-P energy: -60.600
tors. eta vs tors. theta energy: -114.003
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: 9
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1237.346665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.346665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.346665 (E_RNA)
where:
Base-Base interactions energy: -849.364
where: short stacking energy: -361.016
Base-Backbone interact. energy: -0.647
local terms energy: -387.334853
where:
bonds (distance) C4'-P energy: -65.407
bonds (distance) P-C4' energy: -68.406
flat angles C4'-P-C4' energy: -85.146
flat angles P-C4'-P energy: -49.816
tors. eta vs tors. theta energy: -118.560
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: 7
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1020.448239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.448239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.448239 (E_RNA)
where:
Base-Base interactions energy: -685.523
where: short stacking energy: -275.395
Base-Backbone interact. energy: -1.056
local terms energy: -333.869130
where:
bonds (distance) C4'-P energy: -68.317
bonds (distance) P-C4' energy: -65.869
flat angles C4'-P-C4' energy: -70.983
flat angles P-C4'-P energy: -50.078
tors. eta vs tors. theta energy: -78.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -945.613370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.613370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.613370 (E_RNA)
where:
Base-Base interactions energy: -638.351
where: short stacking energy: -293.039
Base-Backbone interact. energy: 0.110
local terms energy: -307.372452
where:
bonds (distance) C4'-P energy: -62.809
bonds (distance) P-C4' energy: -75.004
flat angles C4'-P-C4' energy: -57.795
flat angles P-C4'-P energy: -30.997
tors. eta vs tors. theta energy: -80.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -874.095354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.095354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.095354 (E_RNA)
where:
Base-Base interactions energy: -552.667
where: short stacking energy: -253.686
Base-Backbone interact. energy: -0.495
local terms energy: -320.932690
where:
bonds (distance) C4'-P energy: -71.523
bonds (distance) P-C4' energy: -62.896
flat angles C4'-P-C4' energy: -74.858
flat angles P-C4'-P energy: -48.227
tors. eta vs tors. theta energy: -63.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -738.854096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.854096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.854096 (E_RNA)
where:
Base-Base interactions energy: -459.981
where: short stacking energy: -194.340
Base-Backbone interact. energy: -1.604
local terms energy: -277.268717
where:
bonds (distance) C4'-P energy: -61.335
bonds (distance) P-C4' energy: -69.074
flat angles C4'-P-C4' energy: -61.439
flat angles P-C4'-P energy: -39.513
tors. eta vs tors. theta energy: -45.908
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: 8
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -565.724329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.724329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.724329 (E_RNA)
where:
Base-Base interactions energy: -333.672
where: short stacking energy: -145.750
Base-Backbone interact. energy: 5.953
local terms energy: -238.005722
where:
bonds (distance) C4'-P energy: -54.162
bonds (distance) P-C4' energy: -60.227
flat angles C4'-P-C4' energy: -67.237
flat angles P-C4'-P energy: -39.269
tors. eta vs tors. theta energy: -17.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -471.850222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.850222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.850222 (E_RNA)
where:
Base-Base interactions energy: -235.575
where: short stacking energy: -127.578
Base-Backbone interact. energy: -0.165
local terms energy: -236.110215
where:
bonds (distance) C4'-P energy: -66.093
bonds (distance) P-C4' energy: -68.908
flat angles C4'-P-C4' energy: -68.993
flat angles P-C4'-P energy: -29.336
tors. eta vs tors. theta energy: -2.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -303.717995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.717995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.717995 (E_RNA)
where:
Base-Base interactions energy: -114.603
where: short stacking energy: -79.711
Base-Backbone interact. energy: 2.044
local terms energy: -191.159119
where:
bonds (distance) C4'-P energy: -59.436
bonds (distance) P-C4' energy: -52.668
flat angles C4'-P-C4' energy: -50.971
flat angles P-C4'-P energy: -33.548
tors. eta vs tors. theta energy: 5.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1306.798965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.798965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.798965 (E_RNA)
where:
Base-Base interactions energy: -907.287
where: short stacking energy: -358.116
Base-Backbone interact. energy: -0.637
local terms energy: -398.874834
where:
bonds (distance) C4'-P energy: -61.290
bonds (distance) P-C4' energy: -75.070
flat angles C4'-P-C4' energy: -85.597
flat angles P-C4'-P energy: -60.154
tors. eta vs tors. theta energy: -116.763
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: 9
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1276.796628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.796628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.796628 (E_RNA)
where:
Base-Base interactions energy: -869.616
where: short stacking energy: -386.808
Base-Backbone interact. energy: -0.405
local terms energy: -406.776127
where:
bonds (distance) C4'-P energy: -76.535
bonds (distance) P-C4' energy: -71.905
flat angles C4'-P-C4' energy: -85.214
flat angles P-C4'-P energy: -50.709
tors. eta vs tors. theta energy: -122.414
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: 3, replica: 1
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1212.567481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.567481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.567481 (E_RNA)
where:
Base-Base interactions energy: -830.376
where: short stacking energy: -353.036
Base-Backbone interact. energy: 1.496
local terms energy: -383.687710
where:
bonds (distance) C4'-P energy: -80.212
bonds (distance) P-C4' energy: -64.931
flat angles C4'-P-C4' energy: -77.679
flat angles P-C4'-P energy: -45.099
tors. eta vs tors. theta energy: -115.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -1036.196523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.196523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.196523 (E_RNA)
where:
Base-Base interactions energy: -701.415
where: short stacking energy: -291.645
Base-Backbone interact. energy: -0.246
local terms energy: -334.535929
where:
bonds (distance) C4'-P energy: -67.075
bonds (distance) P-C4' energy: -70.431
flat angles C4'-P-C4' energy: -73.036
flat angles P-C4'-P energy: -45.782
tors. eta vs tors. theta energy: -78.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -959.376675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.376675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.376675 (E_RNA)
where:
Base-Base interactions energy: -644.717
where: short stacking energy: -277.655
Base-Backbone interact. energy: 0.024
local terms energy: -314.683052
where:
bonds (distance) C4'-P energy: -54.665
bonds (distance) P-C4' energy: -75.148
flat angles C4'-P-C4' energy: -70.314
flat angles P-C4'-P energy: -43.800
tors. eta vs tors. theta energy: -70.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -874.471552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.471552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.471552 (E_RNA)
where:
Base-Base interactions energy: -551.618
where: short stacking energy: -246.828
Base-Backbone interact. energy: 1.346
local terms energy: -324.200018
where:
bonds (distance) C4'-P energy: -62.756
bonds (distance) P-C4' energy: -68.134
flat angles C4'-P-C4' energy: -78.762
flat angles P-C4'-P energy: -52.694
tors. eta vs tors. theta energy: -61.854
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: 7, replica: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -770.993893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.993893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.993893 (E_RNA)
where:
Base-Base interactions energy: -491.266
where: short stacking energy: -224.923
Base-Backbone interact. energy: 0.155
local terms energy: -279.883609
where:
bonds (distance) C4'-P energy: -49.454
bonds (distance) P-C4' energy: -64.816
flat angles C4'-P-C4' energy: -70.230
flat angles P-C4'-P energy: -39.303
tors. eta vs tors. theta energy: -56.081
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: 8
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -578.893393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.893393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.893393 (E_RNA)
where:
Base-Base interactions energy: -317.141
where: short stacking energy: -170.954
Base-Backbone interact. energy: 2.791
local terms energy: -264.542741
where:
bonds (distance) C4'-P energy: -70.357
bonds (distance) P-C4' energy: -70.897
flat angles C4'-P-C4' energy: -49.952
flat angles P-C4'-P energy: -36.820
tors. eta vs tors. theta energy: -36.517
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: 9, replica: 4
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -474.885146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.885146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.885146 (E_RNA)
where:
Base-Base interactions energy: -247.842
where: short stacking energy: -145.516
Base-Backbone interact. energy: 0.822
local terms energy: -227.864485
where:
bonds (distance) C4'-P energy: -55.559
bonds (distance) P-C4' energy: -55.606
flat angles C4'-P-C4' energy: -53.628
flat angles P-C4'-P energy: -43.427
tors. eta vs tors. theta energy: -19.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -306.816803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.816803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.816803 (E_RNA)
where:
Base-Base interactions energy: -129.211
where: short stacking energy: -92.481
Base-Backbone interact. energy: -0.808
local terms energy: -176.796935
where:
bonds (distance) C4'-P energy: -63.809
bonds (distance) P-C4' energy: -56.348
flat angles C4'-P-C4' energy: -62.496
flat angles P-C4'-P energy: -13.903
tors. eta vs tors. theta energy: 19.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1316.384420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.384420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.384420 (E_RNA)
where:
Base-Base interactions energy: -911.708
where: short stacking energy: -383.370
Base-Backbone interact. energy: -0.861
local terms energy: -403.815792
where:
bonds (distance) C4'-P energy: -77.877
bonds (distance) P-C4' energy: -69.740
flat angles C4'-P-C4' energy: -83.232
flat angles P-C4'-P energy: -57.878
tors. eta vs tors. theta energy: -115.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1249.467535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.467535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.467535 (E_RNA)
where:
Base-Base interactions energy: -832.676
where: short stacking energy: -370.244
Base-Backbone interact. energy: -1.780
local terms energy: -415.011406
where:
bonds (distance) C4'-P energy: -77.602
bonds (distance) P-C4' energy: -76.626
flat angles C4'-P-C4' energy: -86.410
flat angles P-C4'-P energy: -54.908
tors. eta vs tors. theta energy: -119.466
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: 3, replica: 1
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1231.528405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.528405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.528405 (E_RNA)
where:
Base-Base interactions energy: -816.712
where: short stacking energy: -364.702
Base-Backbone interact. energy: -2.006
local terms energy: -412.809872
where:
bonds (distance) C4'-P energy: -73.109
bonds (distance) P-C4' energy: -86.130
flat angles C4'-P-C4' energy: -84.660
flat angles P-C4'-P energy: -54.627
tors. eta vs tors. theta energy: -114.284
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: 7
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1048.590594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.590594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.590594 (E_RNA)
where:
Base-Base interactions energy: -699.379
where: short stacking energy: -301.344
Base-Backbone interact. energy: -1.425
local terms energy: -347.786905
where:
bonds (distance) C4'-P energy: -70.709
bonds (distance) P-C4' energy: -68.275
flat angles C4'-P-C4' energy: -74.443
flat angles P-C4'-P energy: -46.023
tors. eta vs tors. theta energy: -88.336
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: 10
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -943.001943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.001943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.001943 (E_RNA)
where:
Base-Base interactions energy: -599.154
where: short stacking energy: -255.014
Base-Backbone interact. energy: -1.298
local terms energy: -342.549343
where:
bonds (distance) C4'-P energy: -78.187
bonds (distance) P-C4' energy: -73.271
flat angles C4'-P-C4' energy: -70.274
flat angles P-C4'-P energy: -45.437
tors. eta vs tors. theta energy: -75.381
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: 6, replica: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -864.642074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.642074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.642074 (E_RNA)
where:
Base-Base interactions energy: -564.682
where: short stacking energy: -249.369
Base-Backbone interact. energy: 0.416
local terms energy: -300.375469
where:
bonds (distance) C4'-P energy: -56.105
bonds (distance) P-C4' energy: -64.891
flat angles C4'-P-C4' energy: -79.654
flat angles P-C4'-P energy: -40.730
tors. eta vs tors. theta energy: -58.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -801.593195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.593195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.593195 (E_RNA)
where:
Base-Base interactions energy: -525.672
where: short stacking energy: -240.448
Base-Backbone interact. energy: -1.133
local terms energy: -274.787344
where:
bonds (distance) C4'-P energy: -60.366
bonds (distance) P-C4' energy: -60.027
flat angles C4'-P-C4' energy: -50.186
flat angles P-C4'-P energy: -38.679
tors. eta vs tors. theta energy: -65.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -600.182144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.182144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.182144 (E_RNA)
where:
Base-Base interactions energy: -340.739
where: short stacking energy: -168.449
Base-Backbone interact. energy: 3.986
local terms energy: -263.429456
where:
bonds (distance) C4'-P energy: -60.297
bonds (distance) P-C4' energy: -63.216
flat angles C4'-P-C4' energy: -63.312
flat angles P-C4'-P energy: -48.002
tors. eta vs tors. theta energy: -28.603
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: 4
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -468.723060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.723060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.723060 (E_RNA)
where:
Base-Base interactions energy: -244.732
where: short stacking energy: -118.640
Base-Backbone interact. energy: 0.525
local terms energy: -224.516433
where:
bonds (distance) C4'-P energy: -69.594
bonds (distance) P-C4' energy: -61.928
flat angles C4'-P-C4' energy: -48.629
flat angles P-C4'-P energy: -36.747
tors. eta vs tors. theta energy: -7.619
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: 10, replica: 6
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -284.177590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.177590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.177590 (E_RNA)
where:
Base-Base interactions energy: -111.717
where: short stacking energy: -89.346
Base-Backbone interact. energy: 1.405
local terms energy: -173.864902
where:
bonds (distance) C4'-P energy: -66.945
bonds (distance) P-C4' energy: -53.944
flat angles C4'-P-C4' energy: -37.819
flat angles P-C4'-P energy: -24.124
tors. eta vs tors. theta energy: 8.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1303.616234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.616234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.616234 (E_RNA)
where:
Base-Base interactions energy: -898.110
where: short stacking energy: -392.226
Base-Backbone interact. energy: -1.676
local terms energy: -403.830338
where:
bonds (distance) C4'-P energy: -70.164
bonds (distance) P-C4' energy: -68.812
flat angles C4'-P-C4' energy: -85.330
flat angles P-C4'-P energy: -61.810
tors. eta vs tors. theta energy: -117.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1236.755155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.755155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.755155 (E_RNA)
where:
Base-Base interactions energy: -845.544
where: short stacking energy: -366.121
Base-Backbone interact. energy: -3.471
local terms energy: -387.740320
where:
bonds (distance) C4'-P energy: -69.407
bonds (distance) P-C4' energy: -64.541
flat angles C4'-P-C4' energy: -86.669
flat angles P-C4'-P energy: -51.998
tors. eta vs tors. theta energy: -115.126
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: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1245.257467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.257467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.257467 (E_RNA)
where:
Base-Base interactions energy: -857.292
where: short stacking energy: -363.835
Base-Backbone interact. energy: 0.040
local terms energy: -388.005518
where:
bonds (distance) C4'-P energy: -74.872
bonds (distance) P-C4' energy: -68.309
flat angles C4'-P-C4' energy: -70.253
flat angles P-C4'-P energy: -53.977
tors. eta vs tors. theta energy: -120.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1050.616677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.616677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.616677 (E_RNA)
where:
Base-Base interactions energy: -722.622
where: short stacking energy: -331.702
Base-Backbone interact. energy: 6.785
local terms energy: -334.779107
where:
bonds (distance) C4'-P energy: -53.834
bonds (distance) P-C4' energy: -59.458
flat angles C4'-P-C4' energy: -90.556
flat angles P-C4'-P energy: -39.251
tors. eta vs tors. theta energy: -91.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -972.061676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.061676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.061676 (E_RNA)
where:
Base-Base interactions energy: -648.576
where: short stacking energy: -292.243
Base-Backbone interact. energy: -1.243
local terms energy: -322.242837
where:
bonds (distance) C4'-P energy: -64.782
bonds (distance) P-C4' energy: -69.245
flat angles C4'-P-C4' energy: -75.647
flat angles P-C4'-P energy: -37.367
tors. eta vs tors. theta energy: -75.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -876.662281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.662281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.662281 (E_RNA)
where:
Base-Base interactions energy: -567.053
where: short stacking energy: -262.475
Base-Backbone interact. energy: -1.904
local terms energy: -307.704414
where:
bonds (distance) C4'-P energy: -73.418
bonds (distance) P-C4' energy: -63.457
flat angles C4'-P-C4' energy: -73.516
flat angles P-C4'-P energy: -39.061
tors. eta vs tors. theta energy: -58.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -829.671266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.671266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.671266 (E_RNA)
where:
Base-Base interactions energy: -539.121
where: short stacking energy: -222.202
Base-Backbone interact. energy: -1.104
local terms energy: -289.446357
where:
bonds (distance) C4'-P energy: -67.336
bonds (distance) P-C4' energy: -63.911
flat angles C4'-P-C4' energy: -61.975
flat angles P-C4'-P energy: -39.815
tors. eta vs tors. theta energy: -56.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -510.674475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.674475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.674475 (E_RNA)
where:
Base-Base interactions energy: -259.383
where: short stacking energy: -146.309
Base-Backbone interact. energy: -1.027
local terms energy: -250.264198
where:
bonds (distance) C4'-P energy: -64.644
bonds (distance) P-C4' energy: -61.810
flat angles C4'-P-C4' energy: -61.488
flat angles P-C4'-P energy: -40.883
tors. eta vs tors. theta energy: -21.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -543.971371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.971371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.971371 (E_RNA)
where:
Base-Base interactions energy: -310.861
where: short stacking energy: -158.155
Base-Backbone interact. energy: -1.261
local terms energy: -231.849786
where:
bonds (distance) C4'-P energy: -53.259
bonds (distance) P-C4' energy: -62.586
flat angles C4'-P-C4' energy: -56.723
flat angles P-C4'-P energy: -34.971
tors. eta vs tors. theta energy: -24.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -286.557357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.557357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.557357 (E_RNA)
where:
Base-Base interactions energy: -90.705
where: short stacking energy: -86.504
Base-Backbone interact. energy: -2.210
local terms energy: -193.642108
where:
bonds (distance) C4'-P energy: -60.427
bonds (distance) P-C4' energy: -44.629
flat angles C4'-P-C4' energy: -55.547
flat angles P-C4'-P energy: -35.515
tors. eta vs tors. theta energy: 2.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1301.871127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.871127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.871127 (E_RNA)
where:
Base-Base interactions energy: -893.615
where: short stacking energy: -382.411
Base-Backbone interact. energy: -0.490
local terms energy: -407.765919
where:
bonds (distance) C4'-P energy: -67.857
bonds (distance) P-C4' energy: -83.215
flat angles C4'-P-C4' energy: -84.598
flat angles P-C4'-P energy: -61.289
tors. eta vs tors. theta energy: -110.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1264.008405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.008405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.008405 (E_RNA)
where:
Base-Base interactions energy: -862.173
where: short stacking energy: -377.924
Base-Backbone interact. energy: -2.243
local terms energy: -399.592399
where:
bonds (distance) C4'-P energy: -68.030
bonds (distance) P-C4' energy: -82.024
flat angles C4'-P-C4' energy: -85.686
flat angles P-C4'-P energy: -48.995
tors. eta vs tors. theta energy: -114.857
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: 9
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1209.160914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.160914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.160914 (E_RNA)
where:
Base-Base interactions energy: -818.855
where: short stacking energy: -351.610
Base-Backbone interact. energy: -0.663
local terms energy: -389.642978
where:
bonds (distance) C4'-P energy: -69.624
bonds (distance) P-C4' energy: -74.395
flat angles C4'-P-C4' energy: -78.804
flat angles P-C4'-P energy: -48.475
tors. eta vs tors. theta energy: -118.345
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: 7
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1075.998142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.998142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.998142 (E_RNA)
where:
Base-Base interactions energy: -733.910
where: short stacking energy: -303.364
Base-Backbone interact. energy: -0.691
local terms energy: -341.396898
where:
bonds (distance) C4'-P energy: -72.116
bonds (distance) P-C4' energy: -75.470
flat angles C4'-P-C4' energy: -62.310
flat angles P-C4'-P energy: -54.335
tors. eta vs tors. theta energy: -77.167
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: 5, replica: 10
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -974.281285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.281285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.281285 (E_RNA)
where:
Base-Base interactions energy: -648.149
where: short stacking energy: -264.130
Base-Backbone interact. energy: -1.509
local terms energy: -324.622674
where:
bonds (distance) C4'-P energy: -65.336
bonds (distance) P-C4' energy: -70.523
flat angles C4'-P-C4' energy: -68.427
flat angles P-C4'-P energy: -45.643
tors. eta vs tors. theta energy: -74.693
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: 5
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -874.501944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.501944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.501944 (E_RNA)
where:
Base-Base interactions energy: -554.518
where: short stacking energy: -262.042
Base-Backbone interact. energy: -0.399
local terms energy: -319.585078
where:
bonds (distance) C4'-P energy: -71.171
bonds (distance) P-C4' energy: -72.972
flat angles C4'-P-C4' energy: -67.817
flat angles P-C4'-P energy: -46.982
tors. eta vs tors. theta energy: -60.643
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: 7, replica: 3
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -797.891008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.891008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.891008 (E_RNA)
where:
Base-Base interactions energy: -513.760
where: short stacking energy: -219.401
Base-Backbone interact. energy: -1.214
local terms energy: -282.917659
where:
bonds (distance) C4'-P energy: -55.712
bonds (distance) P-C4' energy: -60.733
flat angles C4'-P-C4' energy: -73.412
flat angles P-C4'-P energy: -43.081
tors. eta vs tors. theta energy: -49.980
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: 4
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -492.907872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.907872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.907872 (E_RNA)
where:
Base-Base interactions energy: -248.391
where: short stacking energy: -127.305
Base-Backbone interact. energy: 0.358
local terms energy: -244.874360
where:
bonds (distance) C4'-P energy: -56.487
bonds (distance) P-C4' energy: -61.581
flat angles C4'-P-C4' energy: -69.656
flat angles P-C4'-P energy: -42.883
tors. eta vs tors. theta energy: -14.268
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: 354
Temperature: 1.300000
Total energy: -489.476543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.476543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.476543 (E_RNA)
where:
Base-Base interactions energy: -257.955
where: short stacking energy: -138.544
Base-Backbone interact. energy: -0.921
local terms energy: -230.600192
where:
bonds (distance) C4'-P energy: -56.602
bonds (distance) P-C4' energy: -59.076
flat angles C4'-P-C4' energy: -59.101
flat angles P-C4'-P energy: -32.430
tors. eta vs tors. theta energy: -23.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -315.003525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.003525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.003525 (E_RNA)
where:
Base-Base interactions energy: -103.516
where: short stacking energy: -84.905
Base-Backbone interact. energy: 0.912
local terms energy: -212.399365
where:
bonds (distance) C4'-P energy: -71.713
bonds (distance) P-C4' energy: -71.178
flat angles C4'-P-C4' energy: -50.861
flat angles P-C4'-P energy: -28.070
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: 1, replica: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1302.778997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.778997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.778997 (E_RNA)
where:
Base-Base interactions energy: -896.210
where: short stacking energy: -376.228
Base-Backbone interact. energy: -0.999
local terms energy: -405.569890
where:
bonds (distance) C4'-P energy: -74.381
bonds (distance) P-C4' energy: -74.481
flat angles C4'-P-C4' energy: -81.739
flat angles P-C4'-P energy: -61.202
tors. eta vs tors. theta energy: -113.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1253.561590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.561590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.561590 (E_RNA)
where:
Base-Base interactions energy: -860.892
where: short stacking energy: -367.775
Base-Backbone interact. energy: -4.959
local terms energy: -387.711436
where:
bonds (distance) C4'-P energy: -73.952
bonds (distance) P-C4' energy: -73.930
flat angles C4'-P-C4' energy: -83.911
flat angles P-C4'-P energy: -44.107
tors. eta vs tors. theta energy: -111.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1218.996209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.996209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.996209 (E_RNA)
where:
Base-Base interactions energy: -822.300
where: short stacking energy: -348.983
Base-Backbone interact. energy: -0.404
local terms energy: -396.291745
where:
bonds (distance) C4'-P energy: -59.162
bonds (distance) P-C4' energy: -78.641
flat angles C4'-P-C4' energy: -85.546
flat angles P-C4'-P energy: -62.181
tors. eta vs tors. theta energy: -110.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1084.061814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.061814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.061814 (E_RNA)
where:
Base-Base interactions energy: -722.196
where: short stacking energy: -299.703
Base-Backbone interact. energy: -0.812
local terms energy: -361.053533
where:
bonds (distance) C4'-P energy: -80.352
bonds (distance) P-C4' energy: -70.357
flat angles C4'-P-C4' energy: -78.336
flat angles P-C4'-P energy: -43.935
tors. eta vs tors. theta energy: -88.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -965.672998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.672998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.672998 (E_RNA)
where:
Base-Base interactions energy: -662.442
where: short stacking energy: -277.714
Base-Backbone interact. energy: 0.490
local terms energy: -303.720156
where:
bonds (distance) C4'-P energy: -59.168
bonds (distance) P-C4' energy: -66.335
flat angles C4'-P-C4' energy: -64.210
flat angles P-C4'-P energy: -43.414
tors. eta vs tors. theta energy: -70.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -871.698881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.698881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.698881 (E_RNA)
where:
Base-Base interactions energy: -554.973
where: short stacking energy: -251.911
Base-Backbone interact. energy: -0.475
local terms energy: -316.251427
where:
bonds (distance) C4'-P energy: -61.168
bonds (distance) P-C4' energy: -65.437
flat angles C4'-P-C4' energy: -72.091
flat angles P-C4'-P energy: -49.152
tors. eta vs tors. theta energy: -68.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -846.615074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.615074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.615074 (E_RNA)
where:
Base-Base interactions energy: -558.204
where: short stacking energy: -257.143
Base-Backbone interact. energy: -0.784
local terms energy: -287.626337
where:
bonds (distance) C4'-P energy: -54.983
bonds (distance) P-C4' energy: -61.131
flat angles C4'-P-C4' energy: -60.861
flat angles P-C4'-P energy: -44.394
tors. eta vs tors. theta energy: -66.258
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: 4
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -508.932327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.932327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.932327 (E_RNA)
where:
Base-Base interactions energy: -260.849
where: short stacking energy: -134.458
Base-Backbone interact. energy: -0.342
local terms energy: -247.740475
where:
bonds (distance) C4'-P energy: -67.454
bonds (distance) P-C4' energy: -61.772
flat angles C4'-P-C4' energy: -66.550
flat angles P-C4'-P energy: -41.552
tors. eta vs tors. theta energy: -10.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -480.069985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.069985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.069985 (E_RNA)
where:
Base-Base interactions energy: -269.608
where: short stacking energy: -164.616
Base-Backbone interact. energy: -0.823
local terms energy: -209.638623
where:
bonds (distance) C4'-P energy: -51.421
bonds (distance) P-C4' energy: -58.082
flat angles C4'-P-C4' energy: -61.226
flat angles P-C4'-P energy: -26.613
tors. eta vs tors. theta energy: -12.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -313.858292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.858292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.858292 (E_RNA)
where:
Base-Base interactions energy: -124.459
where: short stacking energy: -76.435
Base-Backbone interact. energy: 1.471
local terms energy: -190.870160
where:
bonds (distance) C4'-P energy: -50.053
bonds (distance) P-C4' energy: -73.261
flat angles C4'-P-C4' energy: -39.525
flat angles P-C4'-P energy: -32.241
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: 1, replica: 2
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1315.266911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.266911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.266911 (E_RNA)
where:
Base-Base interactions energy: -907.682
where: short stacking energy: -386.310
Base-Backbone interact. energy: -1.289
local terms energy: -406.296117
where:
bonds (distance) C4'-P energy: -74.176
bonds (distance) P-C4' energy: -73.255
flat angles C4'-P-C4' energy: -85.901
flat angles P-C4'-P energy: -53.986
tors. eta vs tors. theta energy: -118.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1261.450553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.450553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.450553 (E_RNA)
where:
Base-Base interactions energy: -861.886
where: short stacking energy: -364.339
Base-Backbone interact. energy: -2.597
local terms energy: -396.968003
where:
bonds (distance) C4'-P energy: -67.323
bonds (distance) P-C4' energy: -73.631
flat angles C4'-P-C4' energy: -84.817
flat angles P-C4'-P energy: -53.162
tors. eta vs tors. theta energy: -118.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1230.274316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.274316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.274316 (E_RNA)
where:
Base-Base interactions energy: -827.471
where: short stacking energy: -360.097
Base-Backbone interact. energy: -2.508
local terms energy: -400.295332
where:
bonds (distance) C4'-P energy: -68.441
bonds (distance) P-C4' energy: -79.369
flat angles C4'-P-C4' energy: -77.064
flat angles P-C4'-P energy: -63.587
tors. eta vs tors. theta energy: -111.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1041.583552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.583552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.583552 (E_RNA)
where:
Base-Base interactions energy: -706.540
where: short stacking energy: -308.222
Base-Backbone interact. energy: 1.322
local terms energy: -336.364619
where:
bonds (distance) C4'-P energy: -57.852
bonds (distance) P-C4' energy: -72.408
flat angles C4'-P-C4' energy: -77.057
flat angles P-C4'-P energy: -52.424
tors. eta vs tors. theta energy: -76.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -987.043761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.043761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.043761 (E_RNA)
where:
Base-Base interactions energy: -647.179
where: short stacking energy: -302.963
Base-Backbone interact. energy: -1.382
local terms energy: -338.482635
where:
bonds (distance) C4'-P energy: -66.620
bonds (distance) P-C4' energy: -70.067
flat angles C4'-P-C4' energy: -77.631
flat angles P-C4'-P energy: -38.576
tors. eta vs tors. theta energy: -85.589
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: 6, replica: 5
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -899.701324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.701324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.701324 (E_RNA)
where:
Base-Base interactions energy: -573.084
where: short stacking energy: -261.391
Base-Backbone interact. energy: -1.796
local terms energy: -324.822137
where:
bonds (distance) C4'-P energy: -66.252
bonds (distance) P-C4' energy: -71.916
flat angles C4'-P-C4' energy: -77.295
flat angles P-C4'-P energy: -43.439
tors. eta vs tors. theta energy: -65.919
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: 3
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -852.773999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.773999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.773999 (E_RNA)
where:
Base-Base interactions energy: -544.476
where: short stacking energy: -255.746
Base-Backbone interact. energy: -0.103
local terms energy: -308.195041
where:
bonds (distance) C4'-P energy: -55.292
bonds (distance) P-C4' energy: -65.118
flat angles C4'-P-C4' energy: -74.389
flat angles P-C4'-P energy: -39.649
tors. eta vs tors. theta energy: -73.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -498.675491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.675491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.675491 (E_RNA)
where:
Base-Base interactions energy: -267.941
where: short stacking energy: -152.612
Base-Backbone interact. energy: -0.452
local terms energy: -230.282504
where:
bonds (distance) C4'-P energy: -58.946
bonds (distance) P-C4' energy: -81.485
flat angles C4'-P-C4' energy: -46.028
flat angles P-C4'-P energy: -22.566
tors. eta vs tors. theta energy: -21.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -460.917694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.917694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.917694 (E_RNA)
where:
Base-Base interactions energy: -221.037
where: short stacking energy: -111.220
Base-Backbone interact. energy: -0.700
local terms energy: -239.180802
where:
bonds (distance) C4'-P energy: -60.655
bonds (distance) P-C4' energy: -71.164
flat angles C4'-P-C4' energy: -57.205
flat angles P-C4'-P energy: -47.617
tors. eta vs tors. theta energy: -2.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -286.704018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.704018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.704018 (E_RNA)
where:
Base-Base interactions energy: -79.326
where: short stacking energy: -46.689
Base-Backbone interact. energy: 0.391
local terms energy: -207.768991
where:
bonds (distance) C4'-P energy: -48.964
bonds (distance) P-C4' energy: -64.059
flat angles C4'-P-C4' energy: -64.102
flat angles P-C4'-P energy: -34.755
tors. eta vs tors. theta energy: 4.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1310.344253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.344253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.344253 (E_RNA)
where:
Base-Base interactions energy: -894.789
where: short stacking energy: -375.633
Base-Backbone interact. energy: 0.358
local terms energy: -415.913478
where:
bonds (distance) C4'-P energy: -78.711
bonds (distance) P-C4' energy: -80.602
flat angles C4'-P-C4' energy: -79.855
flat angles P-C4'-P energy: -65.491
tors. eta vs tors. theta energy: -111.255
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: 1
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1249.640588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.640588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.640588 (E_RNA)
where:
Base-Base interactions energy: -829.097
where: short stacking energy: -355.724
Base-Backbone interact. energy: -2.616
local terms energy: -417.926914
where:
bonds (distance) C4'-P energy: -73.256
bonds (distance) P-C4' energy: -78.134
flat angles C4'-P-C4' energy: -88.089
flat angles P-C4'-P energy: -59.711
tors. eta vs tors. theta energy: -118.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1208.997623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.997623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.997623 (E_RNA)
where:
Base-Base interactions energy: -820.699
where: short stacking energy: -357.937
Base-Backbone interact. energy: -1.167
local terms energy: -387.131470
where:
bonds (distance) C4'-P energy: -64.441
bonds (distance) P-C4' energy: -66.540
flat angles C4'-P-C4' energy: -76.448
flat angles P-C4'-P energy: -63.721
tors. eta vs tors. theta energy: -115.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -1007.137699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.137699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.137699 (E_RNA)
where:
Base-Base interactions energy: -666.118
where: short stacking energy: -308.666
Base-Backbone interact. energy: 5.830
local terms energy: -346.849220
where:
bonds (distance) C4'-P energy: -58.436
bonds (distance) P-C4' energy: -64.079
flat angles C4'-P-C4' energy: -81.577
flat angles P-C4'-P energy: -47.978
tors. eta vs tors. theta energy: -94.779
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: 357
Temperature: 1.100000
Total energy: -1039.547504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.547504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.547504 (E_RNA)
where:
Base-Base interactions energy: -710.548
where: short stacking energy: -312.198
Base-Backbone interact. energy: -0.660
local terms energy: -328.338968
where:
bonds (distance) C4'-P energy: -66.423
bonds (distance) P-C4' energy: -70.999
flat angles C4'-P-C4' energy: -68.842
flat angles P-C4'-P energy: -40.486
tors. eta vs tors. theta energy: -81.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -926.571302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.571302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.571302 (E_RNA)
where:
Base-Base interactions energy: -609.330
where: short stacking energy: -269.506
Base-Backbone interact. energy: -1.070
local terms energy: -316.171438
where:
bonds (distance) C4'-P energy: -70.879
bonds (distance) P-C4' energy: -65.794
flat angles C4'-P-C4' energy: -55.431
flat angles P-C4'-P energy: -39.477
tors. eta vs tors. theta energy: -84.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -882.558283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.558283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.558283 (E_RNA)
where:
Base-Base interactions energy: -543.012
where: short stacking energy: -239.879
Base-Backbone interact. energy: -1.482
local terms energy: -338.064093
where:
bonds (distance) C4'-P energy: -73.493
bonds (distance) P-C4' energy: -68.824
flat angles C4'-P-C4' energy: -75.399
flat angles P-C4'-P energy: -47.521
tors. eta vs tors. theta energy: -72.826
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: 8
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -515.114171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.114171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.114171 (E_RNA)
where:
Base-Base interactions energy: -270.257
where: short stacking energy: -147.930
Base-Backbone interact. energy: 0.198
local terms energy: -245.054834
where:
bonds (distance) C4'-P energy: -54.671
bonds (distance) P-C4' energy: -70.598
flat angles C4'-P-C4' energy: -63.015
flat angles P-C4'-P energy: -37.753
tors. eta vs tors. theta energy: -19.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -497.493763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.493763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.493763 (E_RNA)
where:
Base-Base interactions energy: -252.742
where: short stacking energy: -128.144
Base-Backbone interact. energy: -2.117
local terms energy: -242.634998
where:
bonds (distance) C4'-P energy: -65.934
bonds (distance) P-C4' energy: -69.018
flat angles C4'-P-C4' energy: -62.698
flat angles P-C4'-P energy: -42.959
tors. eta vs tors. theta energy: -2.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -287.626199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.626199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.626199 (E_RNA)
where:
Base-Base interactions energy: -91.113
where: short stacking energy: -86.070
Base-Backbone interact. energy: -2.904
local terms energy: -193.609101
where:
bonds (distance) C4'-P energy: -67.612
bonds (distance) P-C4' energy: -58.465
flat angles C4'-P-C4' energy: -46.717
flat angles P-C4'-P energy: -32.505
tors. eta vs tors. theta energy: 11.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1307.687151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.687151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.687151 (E_RNA)
where:
Base-Base interactions energy: -896.970
where: short stacking energy: -380.648
Base-Backbone interact. energy: -0.827
local terms energy: -409.889855
where:
bonds (distance) C4'-P energy: -75.029
bonds (distance) P-C4' energy: -69.866
flat angles C4'-P-C4' energy: -89.103
flat angles P-C4'-P energy: -57.998
tors. eta vs tors. theta energy: -117.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1232.840076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.840076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.840076 (E_RNA)
where:
Base-Base interactions energy: -834.200
where: short stacking energy: -345.388
Base-Backbone interact. energy: -2.536
local terms energy: -396.103495
where:
bonds (distance) C4'-P energy: -73.103
bonds (distance) P-C4' energy: -75.370
flat angles C4'-P-C4' energy: -82.740
flat angles P-C4'-P energy: -59.008
tors. eta vs tors. theta energy: -105.883
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: 358
Temperature: 1.000000
Total energy: -1229.119935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.119935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.119935 (E_RNA)
where:
Base-Base interactions energy: -815.001
where: short stacking energy: -350.706
Base-Backbone interact. energy: -0.452
local terms energy: -413.667444
where:
bonds (distance) C4'-P energy: -73.493
bonds (distance) P-C4' energy: -72.928
flat angles C4'-P-C4' energy: -86.211
flat angles P-C4'-P energy: -65.921
tors. eta vs tors. theta energy: -115.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1018.926763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.926763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.926763 (E_RNA)
where:
Base-Base interactions energy: -667.728
where: short stacking energy: -294.980
Base-Backbone interact. energy: -1.556
local terms energy: -349.643513
where:
bonds (distance) C4'-P energy: -74.125
bonds (distance) P-C4' energy: -66.303
flat angles C4'-P-C4' energy: -75.194
flat angles P-C4'-P energy: -50.816
tors. eta vs tors. theta energy: -83.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -947.980738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.980738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.980738 (E_RNA)
where:
Base-Base interactions energy: -618.630
where: short stacking energy: -292.380
Base-Backbone interact. energy: 0.926
local terms energy: -330.276752
where:
bonds (distance) C4'-P energy: -69.616
bonds (distance) P-C4' energy: -68.380
flat angles C4'-P-C4' energy: -64.298
flat angles P-C4'-P energy: -48.815
tors. eta vs tors. theta energy: -79.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1009.605157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.605157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.605157 (E_RNA)
where:
Base-Base interactions energy: -696.241
where: short stacking energy: -286.298
Base-Backbone interact. energy: 0.961
local terms energy: -314.325259
where:
bonds (distance) C4'-P energy: -60.637
bonds (distance) P-C4' energy: -62.766
flat angles C4'-P-C4' energy: -67.134
flat angles P-C4'-P energy: -49.389
tors. eta vs tors. theta energy: -74.399
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: 5
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -816.092169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.092169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.092169 (E_RNA)
where:
Base-Base interactions energy: -511.098
where: short stacking energy: -250.565
Base-Backbone interact. energy: 0.631
local terms energy: -305.625187
where:
bonds (distance) C4'-P energy: -64.653
bonds (distance) P-C4' energy: -65.534
flat angles C4'-P-C4' energy: -74.738
flat angles P-C4'-P energy: -42.513
tors. eta vs tors. theta energy: -58.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -553.115851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.115851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.115851 (E_RNA)
where:
Base-Base interactions energy: -301.681
where: short stacking energy: -152.107
Base-Backbone interact. energy: -1.780
local terms energy: -249.655710
where:
bonds (distance) C4'-P energy: -60.160
bonds (distance) P-C4' energy: -70.647
flat angles C4'-P-C4' energy: -61.583
flat angles P-C4'-P energy: -36.086
tors. eta vs tors. theta energy: -21.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -471.352949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.352949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.352949 (E_RNA)
where:
Base-Base interactions energy: -237.786
where: short stacking energy: -111.618
Base-Backbone interact. energy: -0.108
local terms energy: -233.459037
where:
bonds (distance) C4'-P energy: -49.488
bonds (distance) P-C4' energy: -77.727
flat angles C4'-P-C4' energy: -52.012
flat angles P-C4'-P energy: -44.589
tors. eta vs tors. theta energy: -9.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -299.218409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.218409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.218409 (E_RNA)
where:
Base-Base interactions energy: -108.972
where: short stacking energy: -86.373
Base-Backbone interact. energy: 2.046
local terms energy: -192.292959
where:
bonds (distance) C4'-P energy: -57.254
bonds (distance) P-C4' energy: -67.344
flat angles C4'-P-C4' energy: -51.500
flat angles P-C4'-P energy: -24.156
tors. eta vs tors. theta energy: 7.961
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: 1, replica: 2
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1315.711969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.711969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.711969 (E_RNA)
where:
Base-Base interactions energy: -912.747
where: short stacking energy: -375.701
Base-Backbone interact. energy: 0.771
local terms energy: -403.735855
where:
bonds (distance) C4'-P energy: -77.384
bonds (distance) P-C4' energy: -74.128
flat angles C4'-P-C4' energy: -82.390
flat angles P-C4'-P energy: -58.838
tors. eta vs tors. theta energy: -110.996
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: 359
Temperature: 0.950000
Total energy: -1241.117055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.117055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.117055 (E_RNA)
where:
Base-Base interactions energy: -858.632
where: short stacking energy: -371.419
Base-Backbone interact. energy: -1.331
local terms energy: -381.154238
where:
bonds (distance) C4'-P energy: -74.767
bonds (distance) P-C4' energy: -71.765
flat angles C4'-P-C4' energy: -75.652
flat angles P-C4'-P energy: -43.427
tors. eta vs tors. theta energy: -115.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1214.141223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.141223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.141223 (E_RNA)
where:
Base-Base interactions energy: -835.992
where: short stacking energy: -360.168
Base-Backbone interact. energy: -2.348
local terms energy: -375.800593
where:
bonds (distance) C4'-P energy: -60.560
bonds (distance) P-C4' energy: -69.262
flat angles C4'-P-C4' energy: -78.647
flat angles P-C4'-P energy: -52.796
tors. eta vs tors. theta energy: -114.536
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: 10
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -994.449724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.449724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.449724 (E_RNA)
where:
Base-Base interactions energy: -658.150
where: short stacking energy: -284.300
Base-Backbone interact. energy: 0.861
local terms energy: -337.160708
where:
bonds (distance) C4'-P energy: -71.954
bonds (distance) P-C4' energy: -52.381
flat angles C4'-P-C4' energy: -72.301
flat angles P-C4'-P energy: -53.955
tors. eta vs tors. theta energy: -86.569
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: 5, replica: 3
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -927.110915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.110915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.110915 (E_RNA)
where:
Base-Base interactions energy: -606.823
where: short stacking energy: -284.092
Base-Backbone interact. energy: -0.803
local terms energy: -319.484386
where:
bonds (distance) C4'-P energy: -62.553
bonds (distance) P-C4' energy: -74.298
flat angles C4'-P-C4' energy: -80.318
flat angles P-C4'-P energy: -24.458
tors. eta vs tors. theta energy: -77.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -980.400864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.400864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.400864 (E_RNA)
where:
Base-Base interactions energy: -658.324
where: short stacking energy: -263.597
Base-Backbone interact. energy: 1.519
local terms energy: -323.595205
where:
bonds (distance) C4'-P energy: -58.138
bonds (distance) P-C4' energy: -73.181
flat angles C4'-P-C4' energy: -74.060
flat angles P-C4'-P energy: -45.343
tors. eta vs tors. theta energy: -72.873
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: 5
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -836.188197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.188197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.188197 (E_RNA)
where:
Base-Base interactions energy: -536.277
where: short stacking energy: -254.408
Base-Backbone interact. energy: -0.508
local terms energy: -299.403429
where:
bonds (distance) C4'-P energy: -56.801
bonds (distance) P-C4' energy: -62.376
flat angles C4'-P-C4' energy: -73.033
flat angles P-C4'-P energy: -36.612
tors. eta vs tors. theta energy: -70.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -525.520967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.520967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.520967 (E_RNA)
where:
Base-Base interactions energy: -288.450
where: short stacking energy: -155.683
Base-Backbone interact. energy: 3.042
local terms energy: -240.112791
where:
bonds (distance) C4'-P energy: -49.035
bonds (distance) P-C4' energy: -73.812
flat angles C4'-P-C4' energy: -66.083
flat angles P-C4'-P energy: -30.308
tors. eta vs tors. theta energy: -20.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -488.737281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.737281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.737281 (E_RNA)
where:
Base-Base interactions energy: -267.000
where: short stacking energy: -143.873
Base-Backbone interact. energy: -1.973
local terms energy: -219.764286
where:
bonds (distance) C4'-P energy: -67.790
bonds (distance) P-C4' energy: -49.421
flat angles C4'-P-C4' energy: -60.560
flat angles P-C4'-P energy: -32.670
tors. eta vs tors. theta energy: -9.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -319.879757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.879757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.879757 (E_RNA)
where:
Base-Base interactions energy: -126.034
where: short stacking energy: -81.229
Base-Backbone interact. energy: -1.407
local terms energy: -192.438256
where:
bonds (distance) C4'-P energy: -59.362
bonds (distance) P-C4' energy: -59.015
flat angles C4'-P-C4' energy: -49.129
flat angles P-C4'-P energy: -31.033
tors. eta vs tors. theta energy: 6.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1321.444479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.444479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.444479 (E_RNA)
where:
Base-Base interactions energy: -910.368
where: short stacking energy: -380.029
Base-Backbone interact. energy: -2.146
local terms energy: -408.929713
where:
bonds (distance) C4'-P energy: -68.407
bonds (distance) P-C4' energy: -75.636
flat angles C4'-P-C4' energy: -92.525
flat angles P-C4'-P energy: -61.671
tors. eta vs tors. theta energy: -110.692
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: 9
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1265.182690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.182690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.182690 (E_RNA)
where:
Base-Base interactions energy: -856.745
where: short stacking energy: -381.046
Base-Backbone interact. energy: -0.917
local terms energy: -407.520870
where:
bonds (distance) C4'-P energy: -64.002
bonds (distance) P-C4' energy: -77.787
flat angles C4'-P-C4' energy: -81.585
flat angles P-C4'-P energy: -62.551
tors. eta vs tors. theta energy: -121.596
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: 3, replica: 1
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1213.838394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.838394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.838394 (E_RNA)
where:
Base-Base interactions energy: -843.733
where: short stacking energy: -355.654
Base-Backbone interact. energy: -3.223
local terms energy: -366.883364
where:
bonds (distance) C4'-P energy: -60.455
bonds (distance) P-C4' energy: -67.666
flat angles C4'-P-C4' energy: -76.245
flat angles P-C4'-P energy: -50.839
tors. eta vs tors. theta energy: -111.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1054.672673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.672673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.672673 (E_RNA)
where:
Base-Base interactions energy: -675.796
where: short stacking energy: -304.978
Base-Backbone interact. energy: -1.967
local terms energy: -376.910092
where:
bonds (distance) C4'-P energy: -77.088
bonds (distance) P-C4' energy: -74.152
flat angles C4'-P-C4' energy: -78.824
flat angles P-C4'-P energy: -54.550
tors. eta vs tors. theta energy: -92.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1063.078104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.078104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.078104 (E_RNA)
where:
Base-Base interactions energy: -722.559
where: short stacking energy: -318.878
Base-Backbone interact. energy: -1.049
local terms energy: -339.470271
where:
bonds (distance) C4'-P energy: -67.965
bonds (distance) P-C4' energy: -65.853
flat angles C4'-P-C4' energy: -78.064
flat angles P-C4'-P energy: -36.691
tors. eta vs tors. theta energy: -90.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -917.163649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.163649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.163649 (E_RNA)
where:
Base-Base interactions energy: -584.256
where: short stacking energy: -271.436
Base-Backbone interact. energy: 0.464
local terms energy: -333.371703
where:
bonds (distance) C4'-P energy: -68.391
bonds (distance) P-C4' energy: -66.382
flat angles C4'-P-C4' energy: -74.985
flat angles P-C4'-P energy: -45.577
tors. eta vs tors. theta energy: -78.035
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: 5
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -833.507938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.507938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.507938 (E_RNA)
where:
Base-Base interactions energy: -545.422
where: short stacking energy: -227.995
Base-Backbone interact. energy: 0.102
local terms energy: -288.188304
where:
bonds (distance) C4'-P energy: -74.845
bonds (distance) P-C4' energy: -60.049
flat angles C4'-P-C4' energy: -64.723
flat angles P-C4'-P energy: -41.036
tors. eta vs tors. theta energy: -47.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -506.420398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.420398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.420398 (E_RNA)
where:
Base-Base interactions energy: -264.592
where: short stacking energy: -149.334
Base-Backbone interact. energy: 2.373
local terms energy: -244.201473
where:
bonds (distance) C4'-P energy: -60.902
bonds (distance) P-C4' energy: -63.439
flat angles C4'-P-C4' energy: -70.293
flat angles P-C4'-P energy: -27.391
tors. eta vs tors. theta energy: -22.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -503.621788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.621788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.621788 (E_RNA)
where:
Base-Base interactions energy: -266.393
where: short stacking energy: -148.209
Base-Backbone interact. energy: -1.183
local terms energy: -236.045884
where:
bonds (distance) C4'-P energy: -57.444
bonds (distance) P-C4' energy: -63.652
flat angles C4'-P-C4' energy: -62.662
flat angles P-C4'-P energy: -32.691
tors. eta vs tors. theta energy: -19.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -294.544395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.544395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.544395 (E_RNA)
where:
Base-Base interactions energy: -102.775
where: short stacking energy: -95.740
Base-Backbone interact. energy: 1.239
local terms energy: -193.008604
where:
bonds (distance) C4'-P energy: -59.099
bonds (distance) P-C4' energy: -66.732
flat angles C4'-P-C4' energy: -33.782
flat angles P-C4'-P energy: -36.475
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: 2
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1309.409836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.409836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.409836 (E_RNA)
where:
Base-Base interactions energy: -902.705
where: short stacking energy: -375.626
Base-Backbone interact. energy: 0.118
local terms energy: -406.822833
where:
bonds (distance) C4'-P energy: -71.615
bonds (distance) P-C4' energy: -75.792
flat angles C4'-P-C4' energy: -85.220
flat angles P-C4'-P energy: -59.463
tors. eta vs tors. theta energy: -114.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1267.849246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.849246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.849246 (E_RNA)
where:
Base-Base interactions energy: -855.093
where: short stacking energy: -363.370
Base-Backbone interact. energy: -2.681
local terms energy: -410.075055
where:
bonds (distance) C4'-P energy: -74.162
bonds (distance) P-C4' energy: -79.814
flat angles C4'-P-C4' energy: -78.625
flat angles P-C4'-P energy: -58.784
tors. eta vs tors. theta energy: -118.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1253.425379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.425379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.425379 (E_RNA)
where:
Base-Base interactions energy: -850.028
where: short stacking energy: -358.017
Base-Backbone interact. energy: -0.784
local terms energy: -402.613581
where:
bonds (distance) C4'-P energy: -81.104
bonds (distance) P-C4' energy: -69.197
flat angles C4'-P-C4' energy: -80.775
flat angles P-C4'-P energy: -52.990
tors. eta vs tors. theta energy: -118.547
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: 7
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1076.261469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.261469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.261469 (E_RNA)
where:
Base-Base interactions energy: -723.159
where: short stacking energy: -308.951
Base-Backbone interact. energy: 1.633
local terms energy: -354.735526
where:
bonds (distance) C4'-P energy: -66.887
bonds (distance) P-C4' energy: -71.274
flat angles C4'-P-C4' energy: -72.893
flat angles P-C4'-P energy: -54.871
tors. eta vs tors. theta energy: -88.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1036.452741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.452741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.452741 (E_RNA)
where:
Base-Base interactions energy: -679.909
where: short stacking energy: -309.516
Base-Backbone interact. energy: 3.658
local terms energy: -360.202026
where:
bonds (distance) C4'-P energy: -65.314
bonds (distance) P-C4' energy: -70.964
flat angles C4'-P-C4' energy: -80.821
flat angles P-C4'-P energy: -57.094
tors. eta vs tors. theta energy: -86.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -868.000189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.000189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.000189 (E_RNA)
where:
Base-Base interactions energy: -573.242
where: short stacking energy: -255.590
Base-Backbone interact. energy: -1.051
local terms energy: -293.706439
where:
bonds (distance) C4'-P energy: -54.677
bonds (distance) P-C4' energy: -67.905
flat angles C4'-P-C4' energy: -66.238
flat angles P-C4'-P energy: -34.680
tors. eta vs tors. theta energy: -70.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -852.023751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.023751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.023751 (E_RNA)
where:
Base-Base interactions energy: -557.231
where: short stacking energy: -253.081
Base-Backbone interact. energy: -1.491
local terms energy: -293.301187
where:
bonds (distance) C4'-P energy: -56.277
bonds (distance) P-C4' energy: -69.050
flat angles C4'-P-C4' energy: -70.029
flat angles P-C4'-P energy: -35.587
tors. eta vs tors. theta energy: -62.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -491.722195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.722195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.722195 (E_RNA)
where:
Base-Base interactions energy: -238.738
where: short stacking energy: -130.707
Base-Backbone interact. energy: 3.768
local terms energy: -256.752702
where:
bonds (distance) C4'-P energy: -76.509
bonds (distance) P-C4' energy: -69.879
flat angles C4'-P-C4' energy: -53.590
flat angles P-C4'-P energy: -40.257
tors. eta vs tors. theta energy: -16.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -466.254142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.254142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.254142 (E_RNA)
where:
Base-Base interactions energy: -254.320
where: short stacking energy: -124.653
Base-Backbone interact. energy: -1.184
local terms energy: -210.750392
where:
bonds (distance) C4'-P energy: -46.309
bonds (distance) P-C4' energy: -77.948
flat angles C4'-P-C4' energy: -55.643
flat angles P-C4'-P energy: -24.579
tors. eta vs tors. theta energy: -6.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -306.492200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.492200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.492200 (E_RNA)
where:
Base-Base interactions energy: -113.767
where: short stacking energy: -81.359
Base-Backbone interact. energy: -0.450
local terms energy: -192.275397
where:
bonds (distance) C4'-P energy: -59.554
bonds (distance) P-C4' energy: -69.046
flat angles C4'-P-C4' energy: -49.738
flat angles P-C4'-P energy: -28.769
tors. eta vs tors. theta energy: 14.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1312.429882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.429882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.429882 (E_RNA)
where:
Base-Base interactions energy: -915.129
where: short stacking energy: -377.582
Base-Backbone interact. energy: -0.636
local terms energy: -396.664713
where:
bonds (distance) C4'-P energy: -62.221
bonds (distance) P-C4' energy: -73.201
flat angles C4'-P-C4' energy: -83.010
flat angles P-C4'-P energy: -59.615
tors. eta vs tors. theta energy: -118.617
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: 1
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1235.271464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.271464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.271464 (E_RNA)
where:
Base-Base interactions energy: -839.671
where: short stacking energy: -359.391
Base-Backbone interact. energy: -2.055
local terms energy: -393.545509
where:
bonds (distance) C4'-P energy: -64.728
bonds (distance) P-C4' energy: -83.543
flat angles C4'-P-C4' energy: -74.610
flat angles P-C4'-P energy: -51.890
tors. eta vs tors. theta energy: -118.776
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: 362
Temperature: 1.000000
Total energy: -1243.793642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.793642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.793642 (E_RNA)
where:
Base-Base interactions energy: -854.657
where: short stacking energy: -364.959
Base-Backbone interact. energy: -0.613
local terms energy: -388.523658
where:
bonds (distance) C4'-P energy: -67.448
bonds (distance) P-C4' energy: -72.411
flat angles C4'-P-C4' energy: -72.599
flat angles P-C4'-P energy: -58.767
tors. eta vs tors. theta energy: -117.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1090.561494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.561494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.561494 (E_RNA)
where:
Base-Base interactions energy: -731.545
where: short stacking energy: -300.349
Base-Backbone interact. energy: -0.690
local terms energy: -358.326464
where:
bonds (distance) C4'-P energy: -78.476
bonds (distance) P-C4' energy: -74.824
flat angles C4'-P-C4' energy: -70.749
flat angles P-C4'-P energy: -45.222
tors. eta vs tors. theta energy: -89.055
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: 10
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1030.018743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.018743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.018743 (E_RNA)
where:
Base-Base interactions energy: -693.518
where: short stacking energy: -309.738
Base-Backbone interact. energy: 1.015
local terms energy: -337.516084
where:
bonds (distance) C4'-P energy: -57.306
bonds (distance) P-C4' energy: -62.616
flat angles C4'-P-C4' energy: -75.854
flat angles P-C4'-P energy: -42.467
tors. eta vs tors. theta energy: -99.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -844.339964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.339964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.339964 (E_RNA)
where:
Base-Base interactions energy: -557.615
where: short stacking energy: -257.920
Base-Backbone interact. energy: 0.009
local terms energy: -286.733274
where:
bonds (distance) C4'-P energy: -49.572
bonds (distance) P-C4' energy: -68.794
flat angles C4'-P-C4' energy: -55.567
flat angles P-C4'-P energy: -45.094
tors. eta vs tors. theta energy: -67.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -818.940314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.940314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.940314 (E_RNA)
where:
Base-Base interactions energy: -524.250
where: short stacking energy: -243.246
Base-Backbone interact. energy: -1.017
local terms energy: -293.672565
where:
bonds (distance) C4'-P energy: -47.886
bonds (distance) P-C4' energy: -64.794
flat angles C4'-P-C4' energy: -76.882
flat angles P-C4'-P energy: -43.480
tors. eta vs tors. theta energy: -60.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -580.447325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.447325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.447325 (E_RNA)
where:
Base-Base interactions energy: -353.142
where: short stacking energy: -156.888
Base-Backbone interact. energy: 1.293
local terms energy: -228.598379
where:
bonds (distance) C4'-P energy: -56.974
bonds (distance) P-C4' energy: -60.873
flat angles C4'-P-C4' energy: -52.479
flat angles P-C4'-P energy: -39.655
tors. eta vs tors. theta energy: -18.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -473.559628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.559628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.559628 (E_RNA)
where:
Base-Base interactions energy: -244.551
where: short stacking energy: -129.653
Base-Backbone interact. energy: 0.098
local terms energy: -229.106464
where:
bonds (distance) C4'-P energy: -68.454
bonds (distance) P-C4' energy: -64.287
flat angles C4'-P-C4' energy: -46.942
flat angles P-C4'-P energy: -37.448
tors. eta vs tors. theta energy: -11.976
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: 10, replica: 6
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -311.176212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.176212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.176212 (E_RNA)
where:
Base-Base interactions energy: -116.235
where: short stacking energy: -69.649
Base-Backbone interact. energy: -1.762
local terms energy: -193.178974
where:
bonds (distance) C4'-P energy: -67.159
bonds (distance) P-C4' energy: -64.147
flat angles C4'-P-C4' energy: -43.416
flat angles P-C4'-P energy: -34.654
tors. eta vs tors. theta energy: 16.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1331.521038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.521038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.521038 (E_RNA)
where:
Base-Base interactions energy: -912.887
where: short stacking energy: -389.117
Base-Backbone interact. energy: -1.718
local terms energy: -416.916582
where:
bonds (distance) C4'-P energy: -73.767
bonds (distance) P-C4' energy: -79.206
flat angles C4'-P-C4' energy: -77.435
flat angles P-C4'-P energy: -62.568
tors. eta vs tors. theta energy: -123.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1280.399381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.399381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.399381 (E_RNA)
where:
Base-Base interactions energy: -883.601
where: short stacking energy: -378.561
Base-Backbone interact. energy: -1.698
local terms energy: -395.099886
where:
bonds (distance) C4'-P energy: -68.444
bonds (distance) P-C4' energy: -77.777
flat angles C4'-P-C4' energy: -82.320
flat angles P-C4'-P energy: -52.229
tors. eta vs tors. theta energy: -114.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1243.169583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.169583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.169583 (E_RNA)
where:
Base-Base interactions energy: -840.929
where: short stacking energy: -361.292
Base-Backbone interact. energy: -1.794
local terms energy: -400.446145
where:
bonds (distance) C4'-P energy: -72.242
bonds (distance) P-C4' energy: -67.069
flat angles C4'-P-C4' energy: -80.705
flat angles P-C4'-P energy: -66.799
tors. eta vs tors. theta energy: -113.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1084.498822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.498822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.498822 (E_RNA)
where:
Base-Base interactions energy: -718.461
where: short stacking energy: -302.015
Base-Backbone interact. energy: 0.629
local terms energy: -366.666668
where:
bonds (distance) C4'-P energy: -63.712
bonds (distance) P-C4' energy: -86.066
flat angles C4'-P-C4' energy: -74.134
flat angles P-C4'-P energy: -53.642
tors. eta vs tors. theta energy: -89.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -977.478656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.478656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.478656 (E_RNA)
where:
Base-Base interactions energy: -648.295
where: short stacking energy: -289.063
Base-Backbone interact. energy: -0.973
local terms energy: -328.210800
where:
bonds (distance) C4'-P energy: -69.745
bonds (distance) P-C4' energy: -59.870
flat angles C4'-P-C4' energy: -72.011
flat angles P-C4'-P energy: -37.504
tors. eta vs tors. theta energy: -89.081
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: 6, replica: 3
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -886.671306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.671306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.671306 (E_RNA)
where:
Base-Base interactions energy: -553.670
where: short stacking energy: -252.888
Base-Backbone interact. energy: 1.420
local terms energy: -334.421624
where:
bonds (distance) C4'-P energy: -75.597
bonds (distance) P-C4' energy: -76.395
flat angles C4'-P-C4' energy: -63.522
flat angles P-C4'-P energy: -48.379
tors. eta vs tors. theta energy: -70.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -866.208515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.208515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.208515 (E_RNA)
where:
Base-Base interactions energy: -545.622
where: short stacking energy: -248.718
Base-Backbone interact. energy: -0.618
local terms energy: -319.968150
where:
bonds (distance) C4'-P energy: -59.888
bonds (distance) P-C4' energy: -73.333
flat angles C4'-P-C4' energy: -71.030
flat angles P-C4'-P energy: -49.743
tors. eta vs tors. theta energy: -65.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -523.379601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.379601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.379601 (E_RNA)
where:
Base-Base interactions energy: -299.195
where: short stacking energy: -138.099
Base-Backbone interact. energy: -0.419
local terms energy: -223.764935
where:
bonds (distance) C4'-P energy: -49.874
bonds (distance) P-C4' energy: -69.704
flat angles C4'-P-C4' energy: -63.643
flat angles P-C4'-P energy: -32.376
tors. eta vs tors. theta energy: -8.168
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: 4
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -507.632331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.632331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.632331 (E_RNA)
where:
Base-Base interactions energy: -288.605
where: short stacking energy: -143.930
Base-Backbone interact. energy: -2.072
local terms energy: -216.954932
where:
bonds (distance) C4'-P energy: -53.321
bonds (distance) P-C4' energy: -54.498
flat angles C4'-P-C4' energy: -63.792
flat angles P-C4'-P energy: -28.243
tors. eta vs tors. theta energy: -17.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -337.493433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.493433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.493433 (E_RNA)
where:
Base-Base interactions energy: -149.604
where: short stacking energy: -102.165
Base-Backbone interact. energy: 1.234
local terms energy: -189.122994
where:
bonds (distance) C4'-P energy: -65.198
bonds (distance) P-C4' energy: -48.039
flat angles C4'-P-C4' energy: -53.594
flat angles P-C4'-P energy: -20.076
tors. eta vs tors. theta energy: -2.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1351.085367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.085367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.085367 (E_RNA)
where:
Base-Base interactions energy: -940.940
where: short stacking energy: -406.092
Base-Backbone interact. energy: -0.683
local terms energy: -409.461727
where:
bonds (distance) C4'-P energy: -71.130
bonds (distance) P-C4' energy: -74.430
flat angles C4'-P-C4' energy: -82.316
flat angles P-C4'-P energy: -59.335
tors. eta vs tors. theta energy: -122.251
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: 9
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1291.254903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.254903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.254903 (E_RNA)
where:
Base-Base interactions energy: -880.300
where: short stacking energy: -389.819
Base-Backbone interact. energy: -0.801
local terms energy: -410.153392
where:
bonds (distance) C4'-P energy: -78.321
bonds (distance) P-C4' energy: -71.676
flat angles C4'-P-C4' energy: -83.487
flat angles P-C4'-P energy: -50.818
tors. eta vs tors. theta energy: -125.852
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: 1
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -1235.254953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.254953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.254953 (E_RNA)
where:
Base-Base interactions energy: -848.039
where: short stacking energy: -365.525
Base-Backbone interact. energy: 1.796
local terms energy: -389.011364
where:
bonds (distance) C4'-P energy: -68.935
bonds (distance) P-C4' energy: -72.074
flat angles C4'-P-C4' energy: -80.870
flat angles P-C4'-P energy: -51.599
tors. eta vs tors. theta energy: -115.533
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: 7
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1095.365455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.365455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.365455 (E_RNA)
where:
Base-Base interactions energy: -734.072
where: short stacking energy: -313.633
Base-Backbone interact. energy: 0.121
local terms energy: -361.413987
where:
bonds (distance) C4'-P energy: -78.798
bonds (distance) P-C4' energy: -66.617
flat angles C4'-P-C4' energy: -74.859
flat angles P-C4'-P energy: -50.787
tors. eta vs tors. theta energy: -90.354
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: 10
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -968.382026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.382026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.382026 (E_RNA)
where:
Base-Base interactions energy: -630.938
where: short stacking energy: -268.004
Base-Backbone interact. energy: 3.054
local terms energy: -340.498208
where:
bonds (distance) C4'-P energy: -64.257
bonds (distance) P-C4' energy: -73.866
flat angles C4'-P-C4' energy: -69.804
flat angles P-C4'-P energy: -49.091
tors. eta vs tors. theta energy: -83.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -934.498601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.498601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.498601 (E_RNA)
where:
Base-Base interactions energy: -608.410
where: short stacking energy: -271.418
Base-Backbone interact. energy: -2.384
local terms energy: -323.705255
where:
bonds (distance) C4'-P energy: -65.381
bonds (distance) P-C4' energy: -72.266
flat angles C4'-P-C4' energy: -74.186
flat angles P-C4'-P energy: -40.257
tors. eta vs tors. theta energy: -71.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -855.271654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.271654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.271654 (E_RNA)
where:
Base-Base interactions energy: -542.601
where: short stacking energy: -242.738
Base-Backbone interact. energy: -1.126
local terms energy: -311.544394
where:
bonds (distance) C4'-P energy: -67.882
bonds (distance) P-C4' energy: -58.438
flat angles C4'-P-C4' energy: -71.690
flat angles P-C4'-P energy: -41.127
tors. eta vs tors. theta energy: -72.406
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: 8
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -533.217854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.217854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.217854 (E_RNA)
where:
Base-Base interactions energy: -303.310
where: short stacking energy: -151.922
Base-Backbone interact. energy: 0.559
local terms energy: -230.466595
where:
bonds (distance) C4'-P energy: -56.836
bonds (distance) P-C4' energy: -65.726
flat angles C4'-P-C4' energy: -49.020
flat angles P-C4'-P energy: -41.987
tors. eta vs tors. theta energy: -16.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -471.809948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.809948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.809948 (E_RNA)
where:
Base-Base interactions energy: -251.923
where: short stacking energy: -116.214
Base-Backbone interact. energy: 2.748
local terms energy: -222.634605
where:
bonds (distance) C4'-P energy: -66.238
bonds (distance) P-C4' energy: -63.524
flat angles C4'-P-C4' energy: -47.181
flat angles P-C4'-P energy: -49.263
tors. eta vs tors. theta energy: 3.572
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: 6
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -304.033923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.033923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.033923 (E_RNA)
where:
Base-Base interactions energy: -105.084
where: short stacking energy: -97.684
Base-Backbone interact. energy: 0.286
local terms energy: -199.236183
where:
bonds (distance) C4'-P energy: -57.053
bonds (distance) P-C4' energy: -59.711
flat angles C4'-P-C4' energy: -59.614
flat angles P-C4'-P energy: -21.720
tors. eta vs tors. theta energy: -1.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1335.520199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.520199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.520199 (E_RNA)
where:
Base-Base interactions energy: -911.674
where: short stacking energy: -378.637
Base-Backbone interact. energy: -4.224
local terms energy: -419.622657
where:
bonds (distance) C4'-P energy: -75.401
bonds (distance) P-C4' energy: -72.518
flat angles C4'-P-C4' energy: -86.357
flat angles P-C4'-P energy: -63.249
tors. eta vs tors. theta energy: -122.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1285.859421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.859421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.859421 (E_RNA)
where:
Base-Base interactions energy: -889.681
where: short stacking energy: -385.774
Base-Backbone interact. energy: -0.010
local terms energy: -396.168193
where:
bonds (distance) C4'-P energy: -67.020
bonds (distance) P-C4' energy: -68.099
flat angles C4'-P-C4' energy: -80.414
flat angles P-C4'-P energy: -57.246
tors. eta vs tors. theta energy: -123.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1227.024799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.024799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.024799 (E_RNA)
where:
Base-Base interactions energy: -839.879
where: short stacking energy: -362.618
Base-Backbone interact. energy: -3.727
local terms energy: -383.418821
where:
bonds (distance) C4'-P energy: -70.333
bonds (distance) P-C4' energy: -68.764
flat angles C4'-P-C4' energy: -82.754
flat angles P-C4'-P energy: -50.927
tors. eta vs tors. theta energy: -110.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -1112.700196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.700196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.700196 (E_RNA)
where:
Base-Base interactions energy: -764.774
where: short stacking energy: -322.963
Base-Backbone interact. energy: -1.272
local terms energy: -346.654783
where:
bonds (distance) C4'-P energy: -70.821
bonds (distance) P-C4' energy: -70.060
flat angles C4'-P-C4' energy: -72.881
flat angles P-C4'-P energy: -42.117
tors. eta vs tors. theta energy: -90.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -959.753033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.753033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.753033 (E_RNA)
where:
Base-Base interactions energy: -636.019
where: short stacking energy: -265.702
Base-Backbone interact. energy: -0.835
local terms energy: -322.898941
where:
bonds (distance) C4'-P energy: -51.115
bonds (distance) P-C4' energy: -72.837
flat angles C4'-P-C4' energy: -69.651
flat angles P-C4'-P energy: -50.153
tors. eta vs tors. theta energy: -79.143
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: 3
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -854.619062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.619062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.619062 (E_RNA)
where:
Base-Base interactions energy: -552.435
where: short stacking energy: -250.957
Base-Backbone interact. energy: -0.794
local terms energy: -301.389861
where:
bonds (distance) C4'-P energy: -64.237
bonds (distance) P-C4' energy: -68.830
flat angles C4'-P-C4' energy: -63.490
flat angles P-C4'-P energy: -40.916
tors. eta vs tors. theta energy: -63.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -819.752249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.752249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.752249 (E_RNA)
where:
Base-Base interactions energy: -527.522
where: short stacking energy: -243.281
Base-Backbone interact. energy: -1.618
local terms energy: -290.612316
where:
bonds (distance) C4'-P energy: -53.733
bonds (distance) P-C4' energy: -66.086
flat angles C4'-P-C4' energy: -70.760
flat angles P-C4'-P energy: -48.190
tors. eta vs tors. theta energy: -51.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -511.589165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.589165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.589165 (E_RNA)
where:
Base-Base interactions energy: -294.199
where: short stacking energy: -154.077
Base-Backbone interact. energy: -0.913
local terms energy: -216.476429
where:
bonds (distance) C4'-P energy: -59.603
bonds (distance) P-C4' energy: -67.383
flat angles C4'-P-C4' energy: -46.424
flat angles P-C4'-P energy: -27.479
tors. eta vs tors. theta energy: -15.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -540.334473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.334473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.334473 (E_RNA)
where:
Base-Base interactions energy: -328.316
where: short stacking energy: -155.217
Base-Backbone interact. energy: -0.396
local terms energy: -211.623127
where:
bonds (distance) C4'-P energy: -67.072
bonds (distance) P-C4' energy: -47.403
flat angles C4'-P-C4' energy: -56.032
flat angles P-C4'-P energy: -25.397
tors. eta vs tors. theta energy: -15.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -294.170889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.170889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.170889 (E_RNA)
where:
Base-Base interactions energy: -113.307
where: short stacking energy: -85.566
Base-Backbone interact. energy: -1.778
local terms energy: -179.085577
where:
bonds (distance) C4'-P energy: -55.880
bonds (distance) P-C4' energy: -68.511
flat angles C4'-P-C4' energy: -42.344
flat angles P-C4'-P energy: -16.924
tors. eta vs tors. theta energy: 4.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1326.447357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.447357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.447357 (E_RNA)
where:
Base-Base interactions energy: -903.844
where: short stacking energy: -396.224
Base-Backbone interact. energy: -2.183
local terms energy: -420.419989
where:
bonds (distance) C4'-P energy: -85.184
bonds (distance) P-C4' energy: -76.664
flat angles C4'-P-C4' energy: -79.494
flat angles P-C4'-P energy: -57.733
tors. eta vs tors. theta energy: -121.344
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: 9
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1250.424040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.424040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.424040 (E_RNA)
where:
Base-Base interactions energy: -842.877
where: short stacking energy: -357.832
Base-Backbone interact. energy: -0.633
local terms energy: -406.914800
where:
bonds (distance) C4'-P energy: -68.242
bonds (distance) P-C4' energy: -76.044
flat angles C4'-P-C4' energy: -81.287
flat angles P-C4'-P energy: -61.751
tors. eta vs tors. theta energy: -119.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1221.643760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.643760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.643760 (E_RNA)
where:
Base-Base interactions energy: -834.318
where: short stacking energy: -342.890
Base-Backbone interact. energy: -2.784
local terms energy: -384.540990
where:
bonds (distance) C4'-P energy: -68.642
bonds (distance) P-C4' energy: -61.724
flat angles C4'-P-C4' energy: -76.529
flat angles P-C4'-P energy: -58.963
tors. eta vs tors. theta energy: -118.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -1080.466686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.466686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.466686 (E_RNA)
where:
Base-Base interactions energy: -755.805
where: short stacking energy: -296.166
Base-Backbone interact. energy: 0.871
local terms energy: -325.533312
where:
bonds (distance) C4'-P energy: -69.677
bonds (distance) P-C4' energy: -58.608
flat angles C4'-P-C4' energy: -62.931
flat angles P-C4'-P energy: -48.273
tors. eta vs tors. theta energy: -86.044
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: 366
Temperature: 1.100000
Total energy: -970.533204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.533204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.533204 (E_RNA)
where:
Base-Base interactions energy: -639.343
where: short stacking energy: -278.621
Base-Backbone interact. energy: 1.008
local terms energy: -332.198161
where:
bonds (distance) C4'-P energy: -60.697
bonds (distance) P-C4' energy: -67.456
flat angles C4'-P-C4' energy: -68.968
flat angles P-C4'-P energy: -53.160
tors. eta vs tors. theta energy: -81.917
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: 3
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -867.458879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.458879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.458879 (E_RNA)
where:
Base-Base interactions energy: -565.291
where: short stacking energy: -266.688
Base-Backbone interact. energy: -1.426
local terms energy: -300.742023
where:
bonds (distance) C4'-P energy: -55.603
bonds (distance) P-C4' energy: -66.091
flat angles C4'-P-C4' energy: -66.482
flat angles P-C4'-P energy: -45.454
tors. eta vs tors. theta energy: -67.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -843.032707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.032707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.032707 (E_RNA)
where:
Base-Base interactions energy: -523.813
where: short stacking energy: -237.756
Base-Backbone interact. energy: 0.945
local terms energy: -320.164046
where:
bonds (distance) C4'-P energy: -70.271
bonds (distance) P-C4' energy: -73.730
flat angles C4'-P-C4' energy: -65.818
flat angles P-C4'-P energy: -48.516
tors. eta vs tors. theta energy: -61.829
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: 4
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -532.463337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.463337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.463337 (E_RNA)
where:
Base-Base interactions energy: -290.064
where: short stacking energy: -138.240
Base-Backbone interact. energy: -4.582
local terms energy: -237.817530
where:
bonds (distance) C4'-P energy: -63.990
bonds (distance) P-C4' energy: -61.138
flat angles C4'-P-C4' energy: -61.121
flat angles P-C4'-P energy: -36.718
tors. eta vs tors. theta energy: -14.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -567.017978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.017978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.017978 (E_RNA)
where:
Base-Base interactions energy: -331.821
where: short stacking energy: -171.731
Base-Backbone interact. energy: -1.883
local terms energy: -233.314651
where:
bonds (distance) C4'-P energy: -52.080
bonds (distance) P-C4' energy: -66.681
flat angles C4'-P-C4' energy: -56.647
flat angles P-C4'-P energy: -32.539
tors. eta vs tors. theta energy: -25.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -325.123395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.123395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.123395 (E_RNA)
where:
Base-Base interactions energy: -128.993
where: short stacking energy: -96.156
Base-Backbone interact. energy: -0.050
local terms energy: -196.080906
where:
bonds (distance) C4'-P energy: -47.908
bonds (distance) P-C4' energy: -69.312
flat angles C4'-P-C4' energy: -53.658
flat angles P-C4'-P energy: -32.979
tors. eta vs tors. theta energy: 7.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1333.057555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.057555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.057555 (E_RNA)
where:
Base-Base interactions energy: -917.859
where: short stacking energy: -384.471
Base-Backbone interact. energy: -0.564
local terms energy: -414.635238
where:
bonds (distance) C4'-P energy: -78.224
bonds (distance) P-C4' energy: -70.865
flat angles C4'-P-C4' energy: -85.586
flat angles P-C4'-P energy: -62.263
tors. eta vs tors. theta energy: -117.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1281.717937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.717937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.717937 (E_RNA)
where:
Base-Base interactions energy: -868.415
where: short stacking energy: -380.321
Base-Backbone interact. energy: 0.902
local terms energy: -414.204600
where:
bonds (distance) C4'-P energy: -80.388
bonds (distance) P-C4' energy: -76.242
flat angles C4'-P-C4' energy: -80.229
flat angles P-C4'-P energy: -50.462
tors. eta vs tors. theta energy: -126.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -1202.272269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.272269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.272269 (E_RNA)
where:
Base-Base interactions energy: -810.053
where: short stacking energy: -344.740
Base-Backbone interact. energy: -3.628
local terms energy: -388.591218
where:
bonds (distance) C4'-P energy: -76.809
bonds (distance) P-C4' energy: -72.508
flat angles C4'-P-C4' energy: -78.363
flat angles P-C4'-P energy: -53.375
tors. eta vs tors. theta energy: -107.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -1067.758469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.758469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.758469 (E_RNA)
where:
Base-Base interactions energy: -737.704
where: short stacking energy: -304.391
Base-Backbone interact. energy: -1.670
local terms energy: -328.384152
where:
bonds (distance) C4'-P energy: -47.993
bonds (distance) P-C4' energy: -70.022
flat angles C4'-P-C4' energy: -74.030
flat angles P-C4'-P energy: -46.294
tors. eta vs tors. theta energy: -90.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -977.199110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.199110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.199110 (E_RNA)
where:
Base-Base interactions energy: -654.713
where: short stacking energy: -302.705
Base-Backbone interact. energy: -0.269
local terms energy: -322.216691
where:
bonds (distance) C4'-P energy: -54.878
bonds (distance) P-C4' energy: -59.837
flat angles C4'-P-C4' energy: -76.055
flat angles P-C4'-P energy: -52.346
tors. eta vs tors. theta energy: -79.100
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: 367
Temperature: 1.150000
Total energy: -835.350003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.350003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.350003 (E_RNA)
where:
Base-Base interactions energy: -543.537
where: short stacking energy: -251.940
Base-Backbone interact. energy: -0.561
local terms energy: -291.252493
where:
bonds (distance) C4'-P energy: -57.524
bonds (distance) P-C4' energy: -60.982
flat angles C4'-P-C4' energy: -60.768
flat angles P-C4'-P energy: -44.370
tors. eta vs tors. theta energy: -67.608
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: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -830.290542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.290542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.290542 (E_RNA)
where:
Base-Base interactions energy: -547.017
where: short stacking energy: -233.111
Base-Backbone interact. energy: 4.222
local terms energy: -287.494576
where:
bonds (distance) C4'-P energy: -39.645
bonds (distance) P-C4' energy: -75.885
flat angles C4'-P-C4' energy: -74.599
flat angles P-C4'-P energy: -44.037
tors. eta vs tors. theta energy: -53.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -579.722441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.722441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.722441 (E_RNA)
where:
Base-Base interactions energy: -332.949
where: short stacking energy: -165.886
Base-Backbone interact. energy: 0.437
local terms energy: -247.211126
where:
bonds (distance) C4'-P energy: -62.996
bonds (distance) P-C4' energy: -61.339
flat angles C4'-P-C4' energy: -63.749
flat angles P-C4'-P energy: -39.655
tors. eta vs tors. theta energy: -19.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -495.603754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.603754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.603754 (E_RNA)
where:
Base-Base interactions energy: -264.653
where: short stacking energy: -156.699
Base-Backbone interact. energy: -1.394
local terms energy: -229.557515
where:
bonds (distance) C4'-P energy: -42.928
bonds (distance) P-C4' energy: -72.849
flat angles C4'-P-C4' energy: -64.821
flat angles P-C4'-P energy: -32.576
tors. eta vs tors. theta energy: -16.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -288.865171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.865171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.865171 (E_RNA)
where:
Base-Base interactions energy: -100.964
where: short stacking energy: -76.832
Base-Backbone interact. energy: -0.201
local terms energy: -187.700630
where:
bonds (distance) C4'-P energy: -62.697
bonds (distance) P-C4' energy: -68.165
flat angles C4'-P-C4' energy: -55.364
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: 6.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1324.857725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.857725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.857725 (E_RNA)
where:
Base-Base interactions energy: -914.023
where: short stacking energy: -381.941
Base-Backbone interact. energy: 0.566
local terms energy: -411.400843
where:
bonds (distance) C4'-P energy: -71.501
bonds (distance) P-C4' energy: -68.926
flat angles C4'-P-C4' energy: -92.740
flat angles P-C4'-P energy: -57.339
tors. eta vs tors. theta energy: -120.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1268.741202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.741202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.741202 (E_RNA)
where:
Base-Base interactions energy: -844.220
where: short stacking energy: -368.219
Base-Backbone interact. energy: -0.427
local terms energy: -424.094383
where:
bonds (distance) C4'-P energy: -77.359
bonds (distance) P-C4' energy: -75.111
flat angles C4'-P-C4' energy: -86.751
flat angles P-C4'-P energy: -64.057
tors. eta vs tors. theta energy: -120.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1198.549286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.549286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.549286 (E_RNA)
where:
Base-Base interactions energy: -803.576
where: short stacking energy: -337.055
Base-Backbone interact. energy: -1.479
local terms energy: -393.493770
where:
bonds (distance) C4'-P energy: -74.054
bonds (distance) P-C4' energy: -74.339
flat angles C4'-P-C4' energy: -81.298
flat angles P-C4'-P energy: -58.535
tors. eta vs tors. theta energy: -105.268
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: 4, replica: 7
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -1081.872376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.872376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.872376 (E_RNA)
where:
Base-Base interactions energy: -732.496
where: short stacking energy: -298.870
Base-Backbone interact. energy: -2.232
local terms energy: -347.143608
where:
bonds (distance) C4'-P energy: -52.142
bonds (distance) P-C4' energy: -67.854
flat angles C4'-P-C4' energy: -84.651
flat angles P-C4'-P energy: -52.261
tors. eta vs tors. theta energy: -90.236
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: 10
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -969.765986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.765986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.765986 (E_RNA)
where:
Base-Base interactions energy: -614.464
where: short stacking energy: -246.629
Base-Backbone interact. energy: -2.502
local terms energy: -352.799314
where:
bonds (distance) C4'-P energy: -65.446
bonds (distance) P-C4' energy: -74.592
flat angles C4'-P-C4' energy: -80.970
flat angles P-C4'-P energy: -59.517
tors. eta vs tors. theta energy: -72.274
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: 368
Temperature: 1.150000
Total energy: -882.389959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.389959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.389959 (E_RNA)
where:
Base-Base interactions energy: -559.686
where: short stacking energy: -263.731
Base-Backbone interact. energy: 3.069
local terms energy: -325.773709
where:
bonds (distance) C4'-P energy: -79.395
bonds (distance) P-C4' energy: -60.291
flat angles C4'-P-C4' energy: -69.096
flat angles P-C4'-P energy: -42.823
tors. eta vs tors. theta energy: -74.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -803.893320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.893320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.893320 (E_RNA)
where:
Base-Base interactions energy: -491.891
where: short stacking energy: -209.096
Base-Backbone interact. energy: -0.700
local terms energy: -311.302128
where:
bonds (distance) C4'-P energy: -72.847
bonds (distance) P-C4' energy: -70.369
flat angles C4'-P-C4' energy: -69.391
flat angles P-C4'-P energy: -43.013
tors. eta vs tors. theta energy: -55.683
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: 8
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -614.663682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.663682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.663682 (E_RNA)
where:
Base-Base interactions energy: -371.085
where: short stacking energy: -169.308
Base-Backbone interact. energy: 2.097
local terms energy: -245.676399
where:
bonds (distance) C4'-P energy: -52.346
bonds (distance) P-C4' energy: -61.580
flat angles C4'-P-C4' energy: -57.635
flat angles P-C4'-P energy: -31.200
tors. eta vs tors. theta energy: -42.915
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: 4
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -478.471728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.471728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.471728 (E_RNA)
where:
Base-Base interactions energy: -217.888
where: short stacking energy: -127.279
Base-Backbone interact. energy: -0.849
local terms energy: -259.735459
where:
bonds (distance) C4'-P energy: -64.843
bonds (distance) P-C4' energy: -72.889
flat angles C4'-P-C4' energy: -71.395
flat angles P-C4'-P energy: -35.530
tors. eta vs tors. theta energy: -15.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -317.194863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.194863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.194863 (E_RNA)
where:
Base-Base interactions energy: -121.936
where: short stacking energy: -83.140
Base-Backbone interact. energy: 1.141
local terms energy: -196.399664
where:
bonds (distance) C4'-P energy: -68.993
bonds (distance) P-C4' energy: -59.356
flat angles C4'-P-C4' energy: -49.099
flat angles P-C4'-P energy: -32.049
tors. eta vs tors. theta energy: 13.099
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: 369
Temperature: 0.900000
Total energy: -1317.452735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.452735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.452735 (E_RNA)
where:
Base-Base interactions energy: -909.033
where: short stacking energy: -394.296
Base-Backbone interact. energy: -0.472
local terms energy: -407.948136
where:
bonds (distance) C4'-P energy: -78.094
bonds (distance) P-C4' energy: -76.340
flat angles C4'-P-C4' energy: -76.658
flat angles P-C4'-P energy: -57.171
tors. eta vs tors. theta energy: -119.685
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: 9
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1276.476046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.476046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.476046 (E_RNA)
where:
Base-Base interactions energy: -865.398
where: short stacking energy: -354.479
Base-Backbone interact. energy: -1.777
local terms energy: -409.300489
where:
bonds (distance) C4'-P energy: -73.814
bonds (distance) P-C4' energy: -76.733
flat angles C4'-P-C4' energy: -84.486
flat angles P-C4'-P energy: -59.036
tors. eta vs tors. theta energy: -115.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1231.192083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.192083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.192083 (E_RNA)
where:
Base-Base interactions energy: -841.200
where: short stacking energy: -361.184
Base-Backbone interact. energy: -2.112
local terms energy: -387.879892
where:
bonds (distance) C4'-P energy: -75.831
bonds (distance) P-C4' energy: -79.298
flat angles C4'-P-C4' energy: -75.743
flat angles P-C4'-P energy: -45.926
tors. eta vs tors. theta energy: -111.083
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: 369
Temperature: 1.050000
Total energy: -1062.109926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.109926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.109926 (E_RNA)
where:
Base-Base interactions energy: -714.143
where: short stacking energy: -294.838
Base-Backbone interact. energy: -1.370
local terms energy: -346.597091
where:
bonds (distance) C4'-P energy: -62.783
bonds (distance) P-C4' energy: -78.479
flat angles C4'-P-C4' energy: -75.696
flat angles P-C4'-P energy: -48.666
tors. eta vs tors. theta energy: -80.973
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: 10
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -988.637560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.637560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.637560 (E_RNA)
where:
Base-Base interactions energy: -671.941
where: short stacking energy: -283.297
Base-Backbone interact. energy: 0.007
local terms energy: -316.702963
where:
bonds (distance) C4'-P energy: -67.046
bonds (distance) P-C4' energy: -64.003
flat angles C4'-P-C4' energy: -64.409
flat angles P-C4'-P energy: -46.321
tors. eta vs tors. theta energy: -74.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -873.269886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.269886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.269886 (E_RNA)
where:
Base-Base interactions energy: -542.652
where: short stacking energy: -245.608
Base-Backbone interact. energy: -1.474
local terms energy: -329.144807
where:
bonds (distance) C4'-P energy: -70.746
bonds (distance) P-C4' energy: -72.000
flat angles C4'-P-C4' energy: -73.428
flat angles P-C4'-P energy: -40.299
tors. eta vs tors. theta energy: -72.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -869.575786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.575786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.575786 (E_RNA)
where:
Base-Base interactions energy: -558.218
where: short stacking energy: -258.773
Base-Backbone interact. energy: 1.282
local terms energy: -312.640192
where:
bonds (distance) C4'-P energy: -59.255
bonds (distance) P-C4' energy: -77.650
flat angles C4'-P-C4' energy: -66.712
flat angles P-C4'-P energy: -47.748
tors. eta vs tors. theta energy: -61.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -626.223860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.223860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.223860 (E_RNA)
where:
Base-Base interactions energy: -368.800
where: short stacking energy: -169.936
Base-Backbone interact. energy: -0.412
local terms energy: -257.011654
where:
bonds (distance) C4'-P energy: -64.329
bonds (distance) P-C4' energy: -76.630
flat angles C4'-P-C4' energy: -52.579
flat angles P-C4'-P energy: -35.947
tors. eta vs tors. theta energy: -27.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -456.532638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.532638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.532638 (E_RNA)
where:
Base-Base interactions energy: -221.397
where: short stacking energy: -118.845
Base-Backbone interact. energy: -2.098
local terms energy: -233.037060
where:
bonds (distance) C4'-P energy: -65.126
bonds (distance) P-C4' energy: -67.802
flat angles C4'-P-C4' energy: -65.862
flat angles P-C4'-P energy: -17.809
tors. eta vs tors. theta energy: -16.437
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: 6
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -336.556438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.556438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.556438 (E_RNA)
where:
Base-Base interactions energy: -140.566
where: short stacking energy: -84.396
Base-Backbone interact. energy: 2.463
local terms energy: -198.452962
where:
bonds (distance) C4'-P energy: -56.198
bonds (distance) P-C4' energy: -62.956
flat angles C4'-P-C4' energy: -58.697
flat angles P-C4'-P energy: -31.974
tors. eta vs tors. theta energy: 11.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1311.642697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.642697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.642697 (E_RNA)
where:
Base-Base interactions energy: -920.112
where: short stacking energy: -380.841
Base-Backbone interact. energy: -1.787
local terms energy: -389.744212
where:
bonds (distance) C4'-P energy: -69.746
bonds (distance) P-C4' energy: -65.071
flat angles C4'-P-C4' energy: -87.106
flat angles P-C4'-P energy: -56.552
tors. eta vs tors. theta energy: -111.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1258.022694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.022694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.022694 (E_RNA)
where:
Base-Base interactions energy: -859.467
where: short stacking energy: -373.043
Base-Backbone interact. energy: 0.960
local terms energy: -399.515984
where:
bonds (distance) C4'-P energy: -64.685
bonds (distance) P-C4' energy: -74.064
flat angles C4'-P-C4' energy: -85.041
flat angles P-C4'-P energy: -58.298
tors. eta vs tors. theta energy: -117.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1212.502636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.502636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.502636 (E_RNA)
where:
Base-Base interactions energy: -820.588
where: short stacking energy: -345.393
Base-Backbone interact. energy: -1.812
local terms energy: -390.101858
where:
bonds (distance) C4'-P energy: -73.432
bonds (distance) P-C4' energy: -72.341
flat angles C4'-P-C4' energy: -87.662
flat angles P-C4'-P energy: -45.929
tors. eta vs tors. theta energy: -110.738
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: 370
Temperature: 1.050000
Total energy: -1062.232326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.232326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.232326 (E_RNA)
where:
Base-Base interactions energy: -732.383
where: short stacking energy: -301.058
Base-Backbone interact. energy: -1.206
local terms energy: -328.643001
where:
bonds (distance) C4'-P energy: -71.813
bonds (distance) P-C4' energy: -63.749
flat angles C4'-P-C4' energy: -66.928
flat angles P-C4'-P energy: -48.567
tors. eta vs tors. theta energy: -77.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -956.407519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.407519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.407519 (E_RNA)
where:
Base-Base interactions energy: -642.911
where: short stacking energy: -287.886
Base-Backbone interact. energy: 0.540
local terms energy: -314.036807
where:
bonds (distance) C4'-P energy: -51.211
bonds (distance) P-C4' energy: -65.123
flat angles C4'-P-C4' energy: -70.190
flat angles P-C4'-P energy: -42.544
tors. eta vs tors. theta energy: -84.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -867.338934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.338934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.338934 (E_RNA)
where:
Base-Base interactions energy: -552.280
where: short stacking energy: -262.373
Base-Backbone interact. energy: -0.642
local terms energy: -314.416162
where:
bonds (distance) C4'-P energy: -58.626
bonds (distance) P-C4' energy: -65.968
flat angles C4'-P-C4' energy: -70.446
flat angles P-C4'-P energy: -48.611
tors. eta vs tors. theta energy: -70.766
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: 7, replica: 5
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -859.406965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.406965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.406965 (E_RNA)
where:
Base-Base interactions energy: -549.852
where: short stacking energy: -235.628
Base-Backbone interact. energy: -1.722
local terms energy: -307.832600
where:
bonds (distance) C4'-P energy: -67.956
bonds (distance) P-C4' energy: -70.375
flat angles C4'-P-C4' energy: -66.999
flat angles P-C4'-P energy: -40.935
tors. eta vs tors. theta energy: -61.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -595.433125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.433125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.433125 (E_RNA)
where:
Base-Base interactions energy: -344.979
where: short stacking energy: -185.704
Base-Backbone interact. energy: -0.147
local terms energy: -250.307650
where:
bonds (distance) C4'-P energy: -58.694
bonds (distance) P-C4' energy: -68.811
flat angles C4'-P-C4' energy: -61.323
flat angles P-C4'-P energy: -27.453
tors. eta vs tors. theta energy: -34.028
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: 9, replica: 4
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -476.505890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.505890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.505890 (E_RNA)
where:
Base-Base interactions energy: -246.944
where: short stacking energy: -122.855
Base-Backbone interact. energy: -1.131
local terms energy: -228.430638
where:
bonds (distance) C4'-P energy: -72.565
bonds (distance) P-C4' energy: -54.898
flat angles C4'-P-C4' energy: -51.034
flat angles P-C4'-P energy: -39.912
tors. eta vs tors. theta energy: -10.022
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: 6
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -393.653704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.653704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.653704 (E_RNA)
where:
Base-Base interactions energy: -193.619
where: short stacking energy: -104.811
Base-Backbone interact. energy: -1.409
local terms energy: -198.625656
where:
bonds (distance) C4'-P energy: -69.545
bonds (distance) P-C4' energy: -71.187
flat angles C4'-P-C4' energy: -40.533
flat angles P-C4'-P energy: -22.909
tors. eta vs tors. theta energy: 5.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1320.217103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.217103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.217103 (E_RNA)
where:
Base-Base interactions energy: -920.600
where: short stacking energy: -403.926
Base-Backbone interact. energy: -1.463
local terms energy: -398.153417
where:
bonds (distance) C4'-P energy: -65.217
bonds (distance) P-C4' energy: -73.675
flat angles C4'-P-C4' energy: -86.159
flat angles P-C4'-P energy: -57.231
tors. eta vs tors. theta energy: -115.872
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: 371
Temperature: 0.950000
Total energy: -1301.487626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.487626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.487626 (E_RNA)
where:
Base-Base interactions energy: -884.800
where: short stacking energy: -364.986
Base-Backbone interact. energy: -2.733
local terms energy: -413.954905
where:
bonds (distance) C4'-P energy: -77.275
bonds (distance) P-C4' energy: -78.072
flat angles C4'-P-C4' energy: -89.061
flat angles P-C4'-P energy: -50.819
tors. eta vs tors. theta energy: -118.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1223.711704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.711704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.711704 (E_RNA)
where:
Base-Base interactions energy: -839.881
where: short stacking energy: -338.396
Base-Backbone interact. energy: -3.061
local terms energy: -380.769671
where:
bonds (distance) C4'-P energy: -68.805
bonds (distance) P-C4' energy: -74.907
flat angles C4'-P-C4' energy: -79.917
flat angles P-C4'-P energy: -51.783
tors. eta vs tors. theta energy: -105.357
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: 10
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1021.329346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.329346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.329346 (E_RNA)
where:
Base-Base interactions energy: -684.434
where: short stacking energy: -298.933
Base-Backbone interact. energy: -2.042
local terms energy: -334.853582
where:
bonds (distance) C4'-P energy: -63.142
bonds (distance) P-C4' energy: -67.721
flat angles C4'-P-C4' energy: -78.402
flat angles P-C4'-P energy: -47.905
tors. eta vs tors. theta energy: -77.683
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: 7
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1000.430177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.430177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.430177 (E_RNA)
where:
Base-Base interactions energy: -653.548
where: short stacking energy: -271.439
Base-Backbone interact. energy: 0.440
local terms energy: -347.322202
where:
bonds (distance) C4'-P energy: -68.882
bonds (distance) P-C4' energy: -71.649
flat angles C4'-P-C4' energy: -77.589
flat angles P-C4'-P energy: -55.901
tors. eta vs tors. theta energy: -73.301
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: 371
Temperature: 1.150000
Total energy: -874.628574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.628574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.628574 (E_RNA)
where:
Base-Base interactions energy: -550.957
where: short stacking energy: -239.457
Base-Backbone interact. energy: -0.680
local terms energy: -322.991673
where:
bonds (distance) C4'-P energy: -72.426
bonds (distance) P-C4' energy: -74.284
flat angles C4'-P-C4' energy: -83.744
flat angles P-C4'-P energy: -41.713
tors. eta vs tors. theta energy: -50.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -845.869906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.869906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.869906 (E_RNA)
where:
Base-Base interactions energy: -533.092
where: short stacking energy: -238.911
Base-Backbone interact. energy: 1.253
local terms energy: -314.030142
where:
bonds (distance) C4'-P energy: -71.815
bonds (distance) P-C4' energy: -70.854
flat angles C4'-P-C4' energy: -67.071
flat angles P-C4'-P energy: -51.136
tors. eta vs tors. theta energy: -53.154
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: 8
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -640.478575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.478575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.478575 (E_RNA)
where:
Base-Base interactions energy: -360.706
where: short stacking energy: -167.875
Base-Backbone interact. energy: -0.915
local terms energy: -278.857659
where:
bonds (distance) C4'-P energy: -84.778
bonds (distance) P-C4' energy: -65.676
flat angles C4'-P-C4' energy: -60.127
flat angles P-C4'-P energy: -35.626
tors. eta vs tors. theta energy: -32.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -475.317322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.317322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.317322 (E_RNA)
where:
Base-Base interactions energy: -238.020
where: short stacking energy: -131.866
Base-Backbone interact. energy: 0.138
local terms energy: -237.435346
where:
bonds (distance) C4'-P energy: -53.427
bonds (distance) P-C4' energy: -63.106
flat angles C4'-P-C4' energy: -58.046
flat angles P-C4'-P energy: -33.510
tors. eta vs tors. theta energy: -29.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -424.029906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.029906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.029906 (E_RNA)
where:
Base-Base interactions energy: -199.108
where: short stacking energy: -120.027
Base-Backbone interact. energy: -1.674
local terms energy: -223.248395
where:
bonds (distance) C4'-P energy: -53.005
bonds (distance) P-C4' energy: -61.128
flat angles C4'-P-C4' energy: -62.891
flat angles P-C4'-P energy: -34.471
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: 1, replica: 2
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1313.698886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.698886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.698886 (E_RNA)
where:
Base-Base interactions energy: -911.777
where: short stacking energy: -388.726
Base-Backbone interact. energy: -1.230
local terms energy: -400.691556
where:
bonds (distance) C4'-P energy: -68.288
bonds (distance) P-C4' energy: -78.467
flat angles C4'-P-C4' energy: -83.458
flat angles P-C4'-P energy: -59.066
tors. eta vs tors. theta energy: -111.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1263.298634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.298634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.298634 (E_RNA)
where:
Base-Base interactions energy: -875.201
where: short stacking energy: -354.365
Base-Backbone interact. energy: -1.655
local terms energy: -386.442854
where:
bonds (distance) C4'-P energy: -81.097
bonds (distance) P-C4' energy: -73.908
flat angles C4'-P-C4' energy: -75.919
flat angles P-C4'-P energy: -50.250
tors. eta vs tors. theta energy: -105.269
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: 3, replica: 1
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1221.289023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.289023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.289023 (E_RNA)
where:
Base-Base interactions energy: -829.256
where: short stacking energy: -349.238
Base-Backbone interact. energy: -1.631
local terms energy: -390.401672
where:
bonds (distance) C4'-P energy: -65.161
bonds (distance) P-C4' energy: -77.128
flat angles C4'-P-C4' energy: -85.158
flat angles P-C4'-P energy: -48.606
tors. eta vs tors. theta energy: -114.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1000.688439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.688439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.688439 (E_RNA)
where:
Base-Base interactions energy: -664.538
where: short stacking energy: -306.542
Base-Backbone interact. energy: -2.438
local terms energy: -333.712558
where:
bonds (distance) C4'-P energy: -67.024
bonds (distance) P-C4' energy: -79.338
flat angles C4'-P-C4' energy: -64.303
flat angles P-C4'-P energy: -34.763
tors. eta vs tors. theta energy: -88.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -998.120734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.120734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.120734 (E_RNA)
where:
Base-Base interactions energy: -685.843
where: short stacking energy: -300.981
Base-Backbone interact. energy: -0.033
local terms energy: -312.245154
where:
bonds (distance) C4'-P energy: -64.563
bonds (distance) P-C4' energy: -55.564
flat angles C4'-P-C4' energy: -77.924
flat angles P-C4'-P energy: -40.392
tors. eta vs tors. theta energy: -73.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -850.942569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.942569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.942569 (E_RNA)
where:
Base-Base interactions energy: -550.643
where: short stacking energy: -223.400
Base-Backbone interact. energy: 1.746
local terms energy: -302.046125
where:
bonds (distance) C4'-P energy: -76.770
bonds (distance) P-C4' energy: -66.104
flat angles C4'-P-C4' energy: -69.468
flat angles P-C4'-P energy: -49.142
tors. eta vs tors. theta energy: -40.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -791.126836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.126836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.126836 (E_RNA)
where:
Base-Base interactions energy: -519.165
where: short stacking energy: -222.875
Base-Backbone interact. energy: 2.005
local terms energy: -273.966861
where:
bonds (distance) C4'-P energy: -49.142
bonds (distance) P-C4' energy: -63.695
flat angles C4'-P-C4' energy: -63.540
flat angles P-C4'-P energy: -39.141
tors. eta vs tors. theta energy: -58.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -614.112787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.112787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.112787 (E_RNA)
where:
Base-Base interactions energy: -374.330
where: short stacking energy: -193.988
Base-Backbone interact. energy: 1.383
local terms energy: -241.165487
where:
bonds (distance) C4'-P energy: -56.127
bonds (distance) P-C4' energy: -54.431
flat angles C4'-P-C4' energy: -56.123
flat angles P-C4'-P energy: -31.789
tors. eta vs tors. theta energy: -42.696
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: 4
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -472.286462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.286462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.286462 (E_RNA)
where:
Base-Base interactions energy: -238.235
where: short stacking energy: -104.404
Base-Backbone interact. energy: -1.937
local terms energy: -232.114143
where:
bonds (distance) C4'-P energy: -64.387
bonds (distance) P-C4' energy: -64.793
flat angles C4'-P-C4' energy: -57.644
flat angles P-C4'-P energy: -46.263
tors. eta vs tors. theta energy: 0.972
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: 10, replica: 6
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -371.529451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.529451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.529451 (E_RNA)
where:
Base-Base interactions energy: -162.482
where: short stacking energy: -104.331
Base-Backbone interact. energy: 0.754
local terms energy: -209.801742
where:
bonds (distance) C4'-P energy: -63.560
bonds (distance) P-C4' energy: -67.318
flat angles C4'-P-C4' energy: -54.609
flat angles P-C4'-P energy: -27.425
tors. eta vs tors. theta energy: 3.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1286.222418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.222418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.222418 (E_RNA)
where:
Base-Base interactions energy: -867.315
where: short stacking energy: -365.707
Base-Backbone interact. energy: 1.711
local terms energy: -420.617918
where:
bonds (distance) C4'-P energy: -76.061
bonds (distance) P-C4' energy: -86.661
flat angles C4'-P-C4' energy: -83.362
flat angles P-C4'-P energy: -61.108
tors. eta vs tors. theta energy: -113.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1261.567986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.567986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.567986 (E_RNA)
where:
Base-Base interactions energy: -865.193
where: short stacking energy: -349.178
Base-Backbone interact. energy: -0.023
local terms energy: -396.352778
where:
bonds (distance) C4'-P energy: -67.012
bonds (distance) P-C4' energy: -72.385
flat angles C4'-P-C4' energy: -86.083
flat angles P-C4'-P energy: -60.721
tors. eta vs tors. theta energy: -110.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1220.461659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.461659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.461659 (E_RNA)
where:
Base-Base interactions energy: -831.407
where: short stacking energy: -348.878
Base-Backbone interact. energy: -1.873
local terms energy: -387.181183
where:
bonds (distance) C4'-P energy: -64.713
bonds (distance) P-C4' energy: -74.753
flat angles C4'-P-C4' energy: -84.475
flat angles P-C4'-P energy: -55.965
tors. eta vs tors. theta energy: -107.276
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: 10
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1003.744065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.744065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.744065 (E_RNA)
where:
Base-Base interactions energy: -673.695
where: short stacking energy: -281.126
Base-Backbone interact. energy: -0.848
local terms energy: -329.200295
where:
bonds (distance) C4'-P energy: -70.729
bonds (distance) P-C4' energy: -61.257
flat angles C4'-P-C4' energy: -74.240
flat angles P-C4'-P energy: -45.662
tors. eta vs tors. theta energy: -77.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -1008.757624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.757624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.757624 (E_RNA)
where:
Base-Base interactions energy: -679.233
where: short stacking energy: -280.014
Base-Backbone interact. energy: -2.179
local terms energy: -327.345617
where:
bonds (distance) C4'-P energy: -60.494
bonds (distance) P-C4' energy: -74.612
flat angles C4'-P-C4' energy: -68.430
flat angles P-C4'-P energy: -48.902
tors. eta vs tors. theta energy: -74.907
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: 3
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -839.539930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.539930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.539930 (E_RNA)
where:
Base-Base interactions energy: -520.069
where: short stacking energy: -241.200
Base-Backbone interact. energy: 0.979
local terms energy: -320.449919
where:
bonds (distance) C4'-P energy: -64.681
bonds (distance) P-C4' energy: -69.084
flat angles C4'-P-C4' energy: -78.548
flat angles P-C4'-P energy: -41.296
tors. eta vs tors. theta energy: -66.842
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: 7, replica: 5
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -775.155401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.155401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.155401 (E_RNA)
where:
Base-Base interactions energy: -477.121
where: short stacking energy: -215.283
Base-Backbone interact. energy: -2.324
local terms energy: -295.711040
where:
bonds (distance) C4'-P energy: -67.871
bonds (distance) P-C4' energy: -73.977
flat angles C4'-P-C4' energy: -65.109
flat angles P-C4'-P energy: -40.572
tors. eta vs tors. theta energy: -48.181
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: 8
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -618.313929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.313929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.313929 (E_RNA)
where:
Base-Base interactions energy: -365.567
where: short stacking energy: -188.256
Base-Backbone interact. energy: 1.876
local terms energy: -254.623165
where:
bonds (distance) C4'-P energy: -56.470
bonds (distance) P-C4' energy: -72.970
flat angles C4'-P-C4' energy: -61.023
flat angles P-C4'-P energy: -37.656
tors. eta vs tors. theta energy: -26.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -468.594027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.594027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.594027 (E_RNA)
where:
Base-Base interactions energy: -243.718
where: short stacking energy: -128.616
Base-Backbone interact. energy: 0.835
local terms energy: -225.711533
where:
bonds (distance) C4'-P energy: -45.842
bonds (distance) P-C4' energy: -63.971
flat angles C4'-P-C4' energy: -61.670
flat angles P-C4'-P energy: -48.530
tors. eta vs tors. theta energy: -5.698
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: 6
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -368.411472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.411472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.411472 (E_RNA)
where:
Base-Base interactions energy: -190.084
where: short stacking energy: -125.122
Base-Backbone interact. energy: -2.595
local terms energy: -175.731983
where:
bonds (distance) C4'-P energy: -52.699
bonds (distance) P-C4' energy: -46.375
flat angles C4'-P-C4' energy: -48.850
flat angles P-C4'-P energy: -28.826
tors. eta vs tors. theta energy: 1.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1333.835469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.835469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.835469 (E_RNA)
where:
Base-Base interactions energy: -911.742
where: short stacking energy: -384.180
Base-Backbone interact. energy: -1.476
local terms energy: -420.617394
where:
bonds (distance) C4'-P energy: -78.246
bonds (distance) P-C4' energy: -87.683
flat angles C4'-P-C4' energy: -79.094
flat angles P-C4'-P energy: -53.823
tors. eta vs tors. theta energy: -121.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1281.389510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.389510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.389510 (E_RNA)
where:
Base-Base interactions energy: -884.091
where: short stacking energy: -383.035
Base-Backbone interact. energy: -2.029
local terms energy: -395.269340
where:
bonds (distance) C4'-P energy: -74.075
bonds (distance) P-C4' energy: -70.469
flat angles C4'-P-C4' energy: -79.298
flat angles P-C4'-P energy: -59.212
tors. eta vs tors. theta energy: -112.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1221.146967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.146967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.146967 (E_RNA)
where:
Base-Base interactions energy: -848.662
where: short stacking energy: -356.472
Base-Backbone interact. energy: -2.525
local terms energy: -369.959754
where:
bonds (distance) C4'-P energy: -55.962
bonds (distance) P-C4' energy: -65.330
flat angles C4'-P-C4' energy: -82.269
flat angles P-C4'-P energy: -53.308
tors. eta vs tors. theta energy: -113.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -1037.609505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.609505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.609505 (E_RNA)
where:
Base-Base interactions energy: -697.245
where: short stacking energy: -295.654
Base-Backbone interact. energy: -0.958
local terms energy: -339.406495
where:
bonds (distance) C4'-P energy: -64.971
bonds (distance) P-C4' energy: -63.828
flat angles C4'-P-C4' energy: -70.939
flat angles P-C4'-P energy: -48.806
tors. eta vs tors. theta energy: -90.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -997.547119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.547119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.547119 (E_RNA)
where:
Base-Base interactions energy: -664.293
where: short stacking energy: -277.770
Base-Backbone interact. energy: 1.118
local terms energy: -334.371955
where:
bonds (distance) C4'-P energy: -78.205
bonds (distance) P-C4' energy: -67.890
flat angles C4'-P-C4' energy: -74.356
flat angles P-C4'-P energy: -41.940
tors. eta vs tors. theta energy: -71.981
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: 6, replica: 3
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -854.322452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.322452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.322452 (E_RNA)
where:
Base-Base interactions energy: -542.005
where: short stacking energy: -241.129
Base-Backbone interact. energy: 0.769
local terms energy: -313.085878
where:
bonds (distance) C4'-P energy: -59.340
bonds (distance) P-C4' energy: -65.638
flat angles C4'-P-C4' energy: -75.766
flat angles P-C4'-P energy: -49.906
tors. eta vs tors. theta energy: -62.436
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: 5
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -775.565285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.565285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.565285 (E_RNA)
where:
Base-Base interactions energy: -501.118
where: short stacking energy: -238.073
Base-Backbone interact. energy: -0.400
local terms energy: -274.047078
where:
bonds (distance) C4'-P energy: -50.564
bonds (distance) P-C4' energy: -60.775
flat angles C4'-P-C4' energy: -64.745
flat angles P-C4'-P energy: -42.256
tors. eta vs tors. theta energy: -55.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -601.578540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.578540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.578540 (E_RNA)
where:
Base-Base interactions energy: -348.338
where: short stacking energy: -163.287
Base-Backbone interact. energy: -1.511
local terms energy: -251.729592
where:
bonds (distance) C4'-P energy: -54.458
bonds (distance) P-C4' energy: -69.407
flat angles C4'-P-C4' energy: -62.358
flat angles P-C4'-P energy: -36.445
tors. eta vs tors. theta energy: -29.061
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: 6
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -388.963974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.963974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.963974 (E_RNA)
where:
Base-Base interactions energy: -174.497
where: short stacking energy: -103.314
Base-Backbone interact. energy: 3.748
local terms energy: -218.215487
where:
bonds (distance) C4'-P energy: -68.045
bonds (distance) P-C4' energy: -71.955
flat angles C4'-P-C4' energy: -54.920
flat angles P-C4'-P energy: -28.785
tors. eta vs tors. theta energy: 5.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -436.318241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.318241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.318241 (E_RNA)
where:
Base-Base interactions energy: -229.441
where: short stacking energy: -116.793
Base-Backbone interact. energy: 2.120
local terms energy: -208.996645
where:
bonds (distance) C4'-P energy: -47.120
bonds (distance) P-C4' energy: -74.432
flat angles C4'-P-C4' energy: -45.643
flat angles P-C4'-P energy: -38.270
tors. eta vs tors. theta energy: -3.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1302.454750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.454750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.454750 (E_RNA)
where:
Base-Base interactions energy: -900.600
where: short stacking energy: -355.056
Base-Backbone interact. energy: -1.190
local terms energy: -400.664684
where:
bonds (distance) C4'-P energy: -78.641
bonds (distance) P-C4' energy: -75.378
flat angles C4'-P-C4' energy: -81.068
flat angles P-C4'-P energy: -50.380
tors. eta vs tors. theta energy: -115.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1273.465612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.465612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.465612 (E_RNA)
where:
Base-Base interactions energy: -859.126
where: short stacking energy: -387.609
Base-Backbone interact. energy: 2.771
local terms energy: -417.111186
where:
bonds (distance) C4'-P energy: -74.249
bonds (distance) P-C4' energy: -72.268
flat angles C4'-P-C4' energy: -89.477
flat angles P-C4'-P energy: -63.571
tors. eta vs tors. theta energy: -117.546
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: 1
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1208.838121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.838121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.838121 (E_RNA)
where:
Base-Base interactions energy: -816.495
where: short stacking energy: -339.091
Base-Backbone interact. energy: -2.303
local terms energy: -390.040079
where:
bonds (distance) C4'-P energy: -66.563
bonds (distance) P-C4' energy: -74.174
flat angles C4'-P-C4' energy: -80.238
flat angles P-C4'-P energy: -51.118
tors. eta vs tors. theta energy: -117.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -1025.322829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.322829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.322829 (E_RNA)
where:
Base-Base interactions energy: -666.085
where: short stacking energy: -287.932
Base-Backbone interact. energy: -0.524
local terms energy: -358.713394
where:
bonds (distance) C4'-P energy: -72.862
bonds (distance) P-C4' energy: -77.212
flat angles C4'-P-C4' energy: -64.642
flat angles P-C4'-P energy: -56.002
tors. eta vs tors. theta energy: -87.996
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: 7
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1027.585332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.585332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.585332 (E_RNA)
where:
Base-Base interactions energy: -694.204
where: short stacking energy: -288.068
Base-Backbone interact. energy: 0.162
local terms energy: -333.543700
where:
bonds (distance) C4'-P energy: -71.797
bonds (distance) P-C4' energy: -62.727
flat angles C4'-P-C4' energy: -67.863
flat angles P-C4'-P energy: -54.299
tors. eta vs tors. theta energy: -76.857
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: 5
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -834.556841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.556841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.556841 (E_RNA)
where:
Base-Base interactions energy: -533.111
where: short stacking energy: -239.922
Base-Backbone interact. energy: -0.850
local terms energy: -300.595304
where:
bonds (distance) C4'-P energy: -60.840
bonds (distance) P-C4' energy: -74.425
flat angles C4'-P-C4' energy: -63.606
flat angles P-C4'-P energy: -43.136
tors. eta vs tors. theta energy: -58.589
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: 3
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -840.547263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.547263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.547263 (E_RNA)
where:
Base-Base interactions energy: -544.873
where: short stacking energy: -245.220
Base-Backbone interact. energy: -1.152
local terms energy: -294.521484
where:
bonds (distance) C4'-P energy: -61.788
bonds (distance) P-C4' energy: -68.696
flat angles C4'-P-C4' energy: -66.096
flat angles P-C4'-P energy: -43.124
tors. eta vs tors. theta energy: -54.817
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: 8
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -600.419472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.419472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.419472 (E_RNA)
where:
Base-Base interactions energy: -341.495
where: short stacking energy: -177.222
Base-Backbone interact. energy: -2.926
local terms energy: -255.999222
where:
bonds (distance) C4'-P energy: -59.588
bonds (distance) P-C4' energy: -53.986
flat angles C4'-P-C4' energy: -63.108
flat angles P-C4'-P energy: -44.438
tors. eta vs tors. theta energy: -34.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -416.090018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.090018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.090018 (E_RNA)
where:
Base-Base interactions energy: -190.397
where: short stacking energy: -119.704
Base-Backbone interact. energy: -0.113
local terms energy: -225.579368
where:
bonds (distance) C4'-P energy: -56.996
bonds (distance) P-C4' energy: -57.686
flat angles C4'-P-C4' energy: -60.921
flat angles P-C4'-P energy: -36.693
tors. eta vs tors. theta energy: -13.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -438.821224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.821224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.821224 (E_RNA)
where:
Base-Base interactions energy: -236.259
where: short stacking energy: -128.959
Base-Backbone interact. energy: 1.065
local terms energy: -203.626570
where:
bonds (distance) C4'-P energy: -57.489
bonds (distance) P-C4' energy: -57.043
flat angles C4'-P-C4' energy: -60.084
flat angles P-C4'-P energy: -22.705
tors. eta vs tors. theta energy: -6.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1328.303446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.303446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.303446 (E_RNA)
where:
Base-Base interactions energy: -934.781
where: short stacking energy: -379.498
Base-Backbone interact. energy: -1.201
local terms energy: -392.321347
where:
bonds (distance) C4'-P energy: -73.040
bonds (distance) P-C4' energy: -68.083
flat angles C4'-P-C4' energy: -72.897
flat angles P-C4'-P energy: -60.455
tors. eta vs tors. theta energy: -117.846
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: 2, replica: 9
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1267.959587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.959587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.959587 (E_RNA)
where:
Base-Base interactions energy: -856.064
where: short stacking energy: -377.268
Base-Backbone interact. energy: 0.117
local terms energy: -412.012576
where:
bonds (distance) C4'-P energy: -76.035
bonds (distance) P-C4' energy: -78.765
flat angles C4'-P-C4' energy: -90.012
flat angles P-C4'-P energy: -49.480
tors. eta vs tors. theta energy: -117.721
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: 3, replica: 1
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1247.531431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.531431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.531431 (E_RNA)
where:
Base-Base interactions energy: -859.877
where: short stacking energy: -363.852
Base-Backbone interact. energy: -2.517
local terms energy: -385.137583
where:
bonds (distance) C4'-P energy: -68.364
bonds (distance) P-C4' energy: -70.568
flat angles C4'-P-C4' energy: -83.154
flat angles P-C4'-P energy: -53.358
tors. eta vs tors. theta energy: -109.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1058.767462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.767462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.767462 (E_RNA)
where:
Base-Base interactions energy: -686.891
where: short stacking energy: -297.573
Base-Backbone interact. energy: -2.405
local terms energy: -369.472084
where:
bonds (distance) C4'-P energy: -71.041
bonds (distance) P-C4' energy: -73.677
flat angles C4'-P-C4' energy: -77.095
flat angles P-C4'-P energy: -61.751
tors. eta vs tors. theta energy: -85.908
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: 7
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1011.763186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.763186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.763186 (E_RNA)
where:
Base-Base interactions energy: -696.885
where: short stacking energy: -287.149
Base-Backbone interact. energy: -3.251
local terms energy: -311.626635
where:
bonds (distance) C4'-P energy: -61.542
bonds (distance) P-C4' energy: -63.987
flat angles C4'-P-C4' energy: -74.230
flat angles P-C4'-P energy: -44.134
tors. eta vs tors. theta energy: -67.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -825.985005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.985005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.985005 (E_RNA)
where:
Base-Base interactions energy: -520.947
where: short stacking energy: -265.657
Base-Backbone interact. energy: 0.750
local terms energy: -305.788495
where:
bonds (distance) C4'-P energy: -54.500
bonds (distance) P-C4' energy: -62.114
flat angles C4'-P-C4' energy: -73.957
flat angles P-C4'-P energy: -37.640
tors. eta vs tors. theta energy: -77.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -842.157624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.157624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.157624 (E_RNA)
where:
Base-Base interactions energy: -542.921
where: short stacking energy: -248.587
Base-Backbone interact. energy: -1.199
local terms energy: -298.038019
where:
bonds (distance) C4'-P energy: -64.065
bonds (distance) P-C4' energy: -65.070
flat angles C4'-P-C4' energy: -59.738
flat angles P-C4'-P energy: -51.246
tors. eta vs tors. theta energy: -57.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -575.159017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.159017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.159017 (E_RNA)
where:
Base-Base interactions energy: -344.283
where: short stacking energy: -160.758
Base-Backbone interact. energy: 1.464
local terms energy: -232.340683
where:
bonds (distance) C4'-P energy: -54.118
bonds (distance) P-C4' energy: -49.458
flat angles C4'-P-C4' energy: -67.721
flat angles P-C4'-P energy: -36.535
tors. eta vs tors. theta energy: -24.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -438.391752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.391752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.391752 (E_RNA)
where:
Base-Base interactions energy: -203.497
where: short stacking energy: -121.490
Base-Backbone interact. energy: -2.494
local terms energy: -232.400577
where:
bonds (distance) C4'-P energy: -63.127
bonds (distance) P-C4' energy: -53.903
flat angles C4'-P-C4' energy: -58.778
flat angles P-C4'-P energy: -41.058
tors. eta vs tors. theta energy: -15.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -448.934175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.934175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.934175 (E_RNA)
where:
Base-Base interactions energy: -242.005
where: short stacking energy: -130.539
Base-Backbone interact. energy: -0.956
local terms energy: -205.972770
where:
bonds (distance) C4'-P energy: -59.043
bonds (distance) P-C4' energy: -61.552
flat angles C4'-P-C4' energy: -44.729
flat angles P-C4'-P energy: -34.917
tors. eta vs tors. theta energy: -5.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1321.449442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.449442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.449442 (E_RNA)
where:
Base-Base interactions energy: -930.309
where: short stacking energy: -380.014
Base-Backbone interact. energy: -1.341
local terms energy: -389.798827
where:
bonds (distance) C4'-P energy: -59.559
bonds (distance) P-C4' energy: -71.334
flat angles C4'-P-C4' energy: -86.861
flat angles P-C4'-P energy: -57.277
tors. eta vs tors. theta energy: -114.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1241.203946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.203946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.203946 (E_RNA)
where:
Base-Base interactions energy: -849.951
where: short stacking energy: -358.636
Base-Backbone interact. energy: -1.662
local terms energy: -389.591071
where:
bonds (distance) C4'-P energy: -75.623
bonds (distance) P-C4' energy: -66.323
flat angles C4'-P-C4' energy: -84.222
flat angles P-C4'-P energy: -53.579
tors. eta vs tors. theta energy: -109.844
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: 9
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1241.655801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.655801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.655801 (E_RNA)
where:
Base-Base interactions energy: -848.757
where: short stacking energy: -346.079
Base-Backbone interact. energy: -1.302
local terms energy: -391.597154
where:
bonds (distance) C4'-P energy: -76.909
bonds (distance) P-C4' energy: -80.205
flat angles C4'-P-C4' energy: -75.912
flat angles P-C4'-P energy: -50.925
tors. eta vs tors. theta energy: -107.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -1062.669970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.669970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.669970 (E_RNA)
where:
Base-Base interactions energy: -706.381
where: short stacking energy: -294.219
Base-Backbone interact. energy: -2.757
local terms energy: -353.532769
where:
bonds (distance) C4'-P energy: -66.461
bonds (distance) P-C4' energy: -72.545
flat angles C4'-P-C4' energy: -73.779
flat angles P-C4'-P energy: -54.967
tors. eta vs tors. theta energy: -85.781
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: 7
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -1009.094566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.094566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.094566 (E_RNA)
where:
Base-Base interactions energy: -682.941
where: short stacking energy: -295.070
Base-Backbone interact. energy: 1.753
local terms energy: -327.907299
where:
bonds (distance) C4'-P energy: -67.819
bonds (distance) P-C4' energy: -71.250
flat angles C4'-P-C4' energy: -75.417
flat angles P-C4'-P energy: -30.301
tors. eta vs tors. theta energy: -83.120
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: 6, replica: 5
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -825.206545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.206545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.206545 (E_RNA)
where:
Base-Base interactions energy: -518.501
where: short stacking energy: -254.195
Base-Backbone interact. energy: -0.882
local terms energy: -305.823720
where:
bonds (distance) C4'-P energy: -58.593
bonds (distance) P-C4' energy: -63.821
flat angles C4'-P-C4' energy: -78.003
flat angles P-C4'-P energy: -47.342
tors. eta vs tors. theta energy: -58.065
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: 3
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -845.522973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.522973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.522973 (E_RNA)
where:
Base-Base interactions energy: -528.093
where: short stacking energy: -248.656
Base-Backbone interact. energy: 1.226
local terms energy: -318.656105
where:
bonds (distance) C4'-P energy: -64.173
bonds (distance) P-C4' energy: -66.710
flat angles C4'-P-C4' energy: -79.567
flat angles P-C4'-P energy: -38.789
tors. eta vs tors. theta energy: -69.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -590.771821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.771821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.771821 (E_RNA)
where:
Base-Base interactions energy: -333.910
where: short stacking energy: -166.819
Base-Backbone interact. energy: 4.092
local terms energy: -260.953934
where:
bonds (distance) C4'-P energy: -77.157
bonds (distance) P-C4' energy: -83.210
flat angles C4'-P-C4' energy: -46.239
flat angles P-C4'-P energy: -33.968
tors. eta vs tors. theta energy: -20.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -455.558365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.558365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.558365 (E_RNA)
where:
Base-Base interactions energy: -220.240
where: short stacking energy: -109.865
Base-Backbone interact. energy: -2.038
local terms energy: -233.280837
where:
bonds (distance) C4'-P energy: -54.371
bonds (distance) P-C4' energy: -66.758
flat angles C4'-P-C4' energy: -57.762
flat angles P-C4'-P energy: -42.148
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: 10, replica: 4
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -441.928159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.928159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.928159 (E_RNA)
where:
Base-Base interactions energy: -227.351
where: short stacking energy: -126.610
Base-Backbone interact. energy: 2.439
local terms energy: -217.016624
where:
bonds (distance) C4'-P energy: -48.794
bonds (distance) P-C4' energy: -67.266
flat angles C4'-P-C4' energy: -57.639
flat angles P-C4'-P energy: -30.433
tors. eta vs tors. theta energy: -12.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1337.073569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.073569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.073569 (E_RNA)
where:
Base-Base interactions energy: -931.080
where: short stacking energy: -381.597
Base-Backbone interact. energy: -2.065
local terms energy: -403.927913
where:
bonds (distance) C4'-P energy: -73.952
bonds (distance) P-C4' energy: -68.951
flat angles C4'-P-C4' energy: -88.660
flat angles P-C4'-P energy: -56.468
tors. eta vs tors. theta energy: -115.897
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: 2, replica: 1
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1261.141358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.141358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.141358 (E_RNA)
where:
Base-Base interactions energy: -881.000
where: short stacking energy: -360.487
Base-Backbone interact. energy: -0.942
local terms energy: -379.199303
where:
bonds (distance) C4'-P energy: -72.018
bonds (distance) P-C4' energy: -62.696
flat angles C4'-P-C4' energy: -67.299
flat angles P-C4'-P energy: -65.459
tors. eta vs tors. theta energy: -111.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1227.725411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.725411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.725411 (E_RNA)
where:
Base-Base interactions energy: -854.323
where: short stacking energy: -363.355
Base-Backbone interact. energy: -1.730
local terms energy: -371.672478
where:
bonds (distance) C4'-P energy: -64.795
bonds (distance) P-C4' energy: -69.842
flat angles C4'-P-C4' energy: -73.214
flat angles P-C4'-P energy: -58.286
tors. eta vs tors. theta energy: -105.536
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: 10
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1051.341872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.341872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.341872 (E_RNA)
where:
Base-Base interactions energy: -707.758
where: short stacking energy: -304.417
Base-Backbone interact. energy: -1.486
local terms energy: -342.097268
where:
bonds (distance) C4'-P energy: -72.806
bonds (distance) P-C4' energy: -64.304
flat angles C4'-P-C4' energy: -70.189
flat angles P-C4'-P energy: -44.104
tors. eta vs tors. theta energy: -90.694
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: 378
Temperature: 1.100000
Total energy: -1000.717701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.717701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.717701 (E_RNA)
where:
Base-Base interactions energy: -654.437
where: short stacking energy: -267.941
Base-Backbone interact. energy: -0.494
local terms energy: -345.786373
where:
bonds (distance) C4'-P energy: -74.230
bonds (distance) P-C4' energy: -70.813
flat angles C4'-P-C4' energy: -85.902
flat angles P-C4'-P energy: -46.133
tors. eta vs tors. theta energy: -68.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -835.916117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.916117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.916117 (E_RNA)
where:
Base-Base interactions energy: -554.916
where: short stacking energy: -265.667
Base-Backbone interact. energy: 0.881
local terms energy: -281.881518
where:
bonds (distance) C4'-P energy: -52.047
bonds (distance) P-C4' energy: -74.011
flat angles C4'-P-C4' energy: -68.661
flat angles P-C4'-P energy: -30.170
tors. eta vs tors. theta energy: -56.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -860.789208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.789208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.789208 (E_RNA)
where:
Base-Base interactions energy: -543.915
where: short stacking energy: -251.114
Base-Backbone interact. energy: -0.269
local terms energy: -316.605559
where:
bonds (distance) C4'-P energy: -57.750
bonds (distance) P-C4' energy: -72.524
flat angles C4'-P-C4' energy: -69.456
flat angles P-C4'-P energy: -48.321
tors. eta vs tors. theta energy: -68.555
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: 378
Temperature: 1.250000
Total energy: -595.010584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.010584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.010584 (E_RNA)
where:
Base-Base interactions energy: -355.389
where: short stacking energy: -173.185
Base-Backbone interact. energy: 4.094
local terms energy: -243.715665
where:
bonds (distance) C4'-P energy: -57.301
bonds (distance) P-C4' energy: -58.473
flat angles C4'-P-C4' energy: -58.774
flat angles P-C4'-P energy: -42.137
tors. eta vs tors. theta energy: -27.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -472.714644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.714644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.714644 (E_RNA)
where:
Base-Base interactions energy: -244.577
where: short stacking energy: -128.907
Base-Backbone interact. energy: 2.835
local terms energy: -230.972919
where:
bonds (distance) C4'-P energy: -67.652
bonds (distance) P-C4' energy: -62.169
flat angles C4'-P-C4' energy: -55.263
flat angles P-C4'-P energy: -30.037
tors. eta vs tors. theta energy: -15.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -423.345460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.345460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.345460 (E_RNA)
where:
Base-Base interactions energy: -226.741
where: short stacking energy: -128.915
Base-Backbone interact. energy: -1.122
local terms energy: -195.482257
where:
bonds (distance) C4'-P energy: -52.137
bonds (distance) P-C4' energy: -59.805
flat angles C4'-P-C4' energy: -57.628
flat angles P-C4'-P energy: -26.582
tors. eta vs tors. theta energy: 0.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1317.295794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.295794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.295794 (E_RNA)
where:
Base-Base interactions energy: -891.066
where: short stacking energy: -365.073
Base-Backbone interact. energy: -0.610
local terms energy: -425.619273
where:
bonds (distance) C4'-P energy: -85.367
bonds (distance) P-C4' energy: -80.125
flat angles C4'-P-C4' energy: -91.206
flat angles P-C4'-P energy: -56.570
tors. eta vs tors. theta energy: -112.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1235.009887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.009887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.009887 (E_RNA)
where:
Base-Base interactions energy: -839.921
where: short stacking energy: -358.359
Base-Backbone interact. energy: -2.482
local terms energy: -392.606171
where:
bonds (distance) C4'-P energy: -73.354
bonds (distance) P-C4' energy: -70.599
flat angles C4'-P-C4' energy: -77.527
flat angles P-C4'-P energy: -54.049
tors. eta vs tors. theta energy: -117.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1225.060610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.060610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.060610 (E_RNA)
where:
Base-Base interactions energy: -832.497
where: short stacking energy: -359.354
Base-Backbone interact. energy: -0.778
local terms energy: -391.785805
where:
bonds (distance) C4'-P energy: -68.908
bonds (distance) P-C4' energy: -74.431
flat angles C4'-P-C4' energy: -85.486
flat angles P-C4'-P energy: -53.505
tors. eta vs tors. theta energy: -109.457
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: 10
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1059.087749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.087749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.087749 (E_RNA)
where:
Base-Base interactions energy: -715.242
where: short stacking energy: -315.703
Base-Backbone interact. energy: -2.142
local terms energy: -341.703232
where:
bonds (distance) C4'-P energy: -59.135
bonds (distance) P-C4' energy: -64.159
flat angles C4'-P-C4' energy: -77.799
flat angles P-C4'-P energy: -55.021
tors. eta vs tors. theta energy: -85.589
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: 7
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -1004.773092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.773092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.773092 (E_RNA)
where:
Base-Base interactions energy: -692.190
where: short stacking energy: -281.251
Base-Backbone interact. energy: 0.868
local terms energy: -313.450981
where:
bonds (distance) C4'-P energy: -60.364
bonds (distance) P-C4' energy: -73.693
flat angles C4'-P-C4' energy: -69.349
flat angles P-C4'-P energy: -43.207
tors. eta vs tors. theta energy: -66.837
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: 6, replica: 5
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -845.290509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.290509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.290509 (E_RNA)
where:
Base-Base interactions energy: -536.367
where: short stacking energy: -259.596
Base-Backbone interact. energy: -0.795
local terms energy: -308.128220
where:
bonds (distance) C4'-P energy: -53.449
bonds (distance) P-C4' energy: -64.001
flat angles C4'-P-C4' energy: -74.421
flat angles P-C4'-P energy: -46.153
tors. eta vs tors. theta energy: -70.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -844.821786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.821786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.821786 (E_RNA)
where:
Base-Base interactions energy: -524.323
where: short stacking energy: -251.737
Base-Backbone interact. energy: -0.473
local terms energy: -320.025636
where:
bonds (distance) C4'-P energy: -64.933
bonds (distance) P-C4' energy: -53.125
flat angles C4'-P-C4' energy: -78.272
flat angles P-C4'-P energy: -46.961
tors. eta vs tors. theta energy: -76.735
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: 8
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -639.786532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.786532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.786532 (E_RNA)
where:
Base-Base interactions energy: -379.241
where: short stacking energy: -188.208
Base-Backbone interact. energy: 0.445
local terms energy: -260.991252
where:
bonds (distance) C4'-P energy: -61.144
bonds (distance) P-C4' energy: -61.833
flat angles C4'-P-C4' energy: -64.738
flat angles P-C4'-P energy: -43.478
tors. eta vs tors. theta energy: -29.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -478.640244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.640244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.640244 (E_RNA)
where:
Base-Base interactions energy: -235.797
where: short stacking energy: -139.302
Base-Backbone interact. energy: 0.515
local terms energy: -243.358487
where:
bonds (distance) C4'-P energy: -72.401
bonds (distance) P-C4' energy: -57.741
flat angles C4'-P-C4' energy: -64.622
flat angles P-C4'-P energy: -29.628
tors. eta vs tors. theta energy: -18.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -433.641726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.641726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.641726 (E_RNA)
where:
Base-Base interactions energy: -239.688
where: short stacking energy: -124.977
Base-Backbone interact. energy: -0.743
local terms energy: -193.210705
where:
bonds (distance) C4'-P energy: -55.932
bonds (distance) P-C4' energy: -69.943
flat angles C4'-P-C4' energy: -40.939
flat angles P-C4'-P energy: -31.664
tors. eta vs tors. theta energy: 5.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1311.030672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.030672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.030672 (E_RNA)
where:
Base-Base interactions energy: -922.826
where: short stacking energy: -388.845
Base-Backbone interact. energy: -0.421
local terms energy: -387.784123
where:
bonds (distance) C4'-P energy: -57.732
bonds (distance) P-C4' energy: -73.896
flat angles C4'-P-C4' energy: -85.538
flat angles P-C4'-P energy: -51.068
tors. eta vs tors. theta energy: -119.550
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: 2, replica: 1
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1231.748503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.748503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.748503 (E_RNA)
where:
Base-Base interactions energy: -831.271
where: short stacking energy: -350.947
Base-Backbone interact. energy: -0.508
local terms energy: -399.969723
where:
bonds (distance) C4'-P energy: -70.031
bonds (distance) P-C4' energy: -73.008
flat angles C4'-P-C4' energy: -81.324
flat angles P-C4'-P energy: -61.766
tors. eta vs tors. theta energy: -113.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1234.465949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.465949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.465949 (E_RNA)
where:
Base-Base interactions energy: -832.683
where: short stacking energy: -368.770
Base-Backbone interact. energy: -0.629
local terms energy: -401.154115
where:
bonds (distance) C4'-P energy: -70.991
bonds (distance) P-C4' energy: -72.667
flat angles C4'-P-C4' energy: -85.044
flat angles P-C4'-P energy: -58.950
tors. eta vs tors. theta energy: -113.503
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: 10
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -1065.001196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.001196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.001196 (E_RNA)
where:
Base-Base interactions energy: -698.937
where: short stacking energy: -301.707
Base-Backbone interact. energy: 1.460
local terms energy: -367.524101
where:
bonds (distance) C4'-P energy: -70.340
bonds (distance) P-C4' energy: -62.518
flat angles C4'-P-C4' energy: -84.603
flat angles P-C4'-P energy: -56.716
tors. eta vs tors. theta energy: -93.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -979.753122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.753122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.753122 (E_RNA)
where:
Base-Base interactions energy: -656.269
where: short stacking energy: -252.163
Base-Backbone interact. energy: 0.913
local terms energy: -324.397292
where:
bonds (distance) C4'-P energy: -69.498
bonds (distance) P-C4' energy: -79.011
flat angles C4'-P-C4' energy: -72.632
flat angles P-C4'-P energy: -37.893
tors. eta vs tors. theta energy: -65.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -804.221158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.221158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.221158 (E_RNA)
where:
Base-Base interactions energy: -519.309
where: short stacking energy: -220.406
Base-Backbone interact. energy: -0.533
local terms energy: -284.378862
where:
bonds (distance) C4'-P energy: -56.547
bonds (distance) P-C4' energy: -69.413
flat angles C4'-P-C4' energy: -68.595
flat angles P-C4'-P energy: -36.902
tors. eta vs tors. theta energy: -52.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -834.425291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.425291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.425291 (E_RNA)
where:
Base-Base interactions energy: -547.565
where: short stacking energy: -249.295
Base-Backbone interact. energy: 1.470
local terms energy: -288.329690
where:
bonds (distance) C4'-P energy: -58.185
bonds (distance) P-C4' energy: -62.911
flat angles C4'-P-C4' energy: -57.059
flat angles P-C4'-P energy: -45.273
tors. eta vs tors. theta energy: -64.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -583.245545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.245545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.245545 (E_RNA)
where:
Base-Base interactions energy: -337.106
where: short stacking energy: -175.845
Base-Backbone interact. energy: -0.846
local terms energy: -245.293361
where:
bonds (distance) C4'-P energy: -48.457
bonds (distance) P-C4' energy: -71.483
flat angles C4'-P-C4' energy: -64.063
flat angles P-C4'-P energy: -31.075
tors. eta vs tors. theta energy: -30.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -470.104789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.104789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.104789 (E_RNA)
where:
Base-Base interactions energy: -218.824
where: short stacking energy: -100.062
Base-Backbone interact. energy: 1.328
local terms energy: -252.608214
where:
bonds (distance) C4'-P energy: -69.755
bonds (distance) P-C4' energy: -65.326
flat angles C4'-P-C4' energy: -60.467
flat angles P-C4'-P energy: -49.322
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: 10, replica: 4
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -442.317704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.317704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.317704 (E_RNA)
where:
Base-Base interactions energy: -231.087
where: short stacking energy: -114.341
Base-Backbone interact. energy: 1.401
local terms energy: -212.631213
where:
bonds (distance) C4'-P energy: -57.862
bonds (distance) P-C4' energy: -70.794
flat angles C4'-P-C4' energy: -58.219
flat angles P-C4'-P energy: -29.029
tors. eta vs tors. theta energy: 3.273
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: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1334.310216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.310216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.310216 (E_RNA)
where:
Base-Base interactions energy: -922.463
where: short stacking energy: -397.142
Base-Backbone interact. energy: 0.158
local terms energy: -412.005772
where:
bonds (distance) C4'-P energy: -71.218
bonds (distance) P-C4' energy: -75.904
flat angles C4'-P-C4' energy: -87.667
flat angles P-C4'-P energy: -63.189
tors. eta vs tors. theta energy: -114.028
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: 9
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1243.704955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.704955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.704955 (E_RNA)
where:
Base-Base interactions energy: -836.022
where: short stacking energy: -349.631
Base-Backbone interact. energy: -1.293
local terms energy: -406.389801
where:
bonds (distance) C4'-P energy: -78.788
bonds (distance) P-C4' energy: -72.015
flat angles C4'-P-C4' energy: -90.769
flat angles P-C4'-P energy: -48.996
tors. eta vs tors. theta energy: -115.823
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: 1
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1227.289401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.289401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.289401 (E_RNA)
where:
Base-Base interactions energy: -847.197
where: short stacking energy: -356.869
Base-Backbone interact. energy: -2.487
local terms energy: -377.605006
where:
bonds (distance) C4'-P energy: -79.294
bonds (distance) P-C4' energy: -58.929
flat angles C4'-P-C4' energy: -82.300
flat angles P-C4'-P energy: -47.628
tors. eta vs tors. theta energy: -109.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -1030.067971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.067971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.067971 (E_RNA)
where:
Base-Base interactions energy: -675.671
where: short stacking energy: -294.120
Base-Backbone interact. energy: -0.860
local terms energy: -353.536521
where:
bonds (distance) C4'-P energy: -68.684
bonds (distance) P-C4' energy: -79.541
flat angles C4'-P-C4' energy: -79.818
flat angles P-C4'-P energy: -45.017
tors. eta vs tors. theta energy: -80.477
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: 7
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -975.482676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.482676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.482676 (E_RNA)
where:
Base-Base interactions energy: -662.186
where: short stacking energy: -290.893
Base-Backbone interact. energy: -0.595
local terms energy: -312.701468
where:
bonds (distance) C4'-P energy: -65.559
bonds (distance) P-C4' energy: -61.781
flat angles C4'-P-C4' energy: -59.877
flat angles P-C4'-P energy: -52.560
tors. eta vs tors. theta energy: -72.925
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: 381
Temperature: 1.150000
Total energy: -921.035736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.035736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.035736 (E_RNA)
where:
Base-Base interactions energy: -576.815
where: short stacking energy: -254.993
Base-Backbone interact. energy: -1.524
local terms energy: -342.696997
where:
bonds (distance) C4'-P energy: -68.581
bonds (distance) P-C4' energy: -72.164
flat angles C4'-P-C4' energy: -78.734
flat angles P-C4'-P energy: -52.214
tors. eta vs tors. theta energy: -71.003
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: 5
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -820.989127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.989127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.989127 (E_RNA)
where:
Base-Base interactions energy: -549.615
where: short stacking energy: -256.334
Base-Backbone interact. energy: -1.180
local terms energy: -270.193886
where:
bonds (distance) C4'-P energy: -47.338
bonds (distance) P-C4' energy: -59.770
flat angles C4'-P-C4' energy: -63.818
flat angles P-C4'-P energy: -31.208
tors. eta vs tors. theta energy: -68.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -601.061789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.061789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.061789 (E_RNA)
where:
Base-Base interactions energy: -371.385
where: short stacking energy: -178.180
Base-Backbone interact. energy: 4.419
local terms energy: -234.096630
where:
bonds (distance) C4'-P energy: -53.825
bonds (distance) P-C4' energy: -70.076
flat angles C4'-P-C4' energy: -63.954
flat angles P-C4'-P energy: -16.367
tors. eta vs tors. theta energy: -29.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -479.680809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.680809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.680809 (E_RNA)
where:
Base-Base interactions energy: -250.622
where: short stacking energy: -143.923
Base-Backbone interact. energy: -0.779
local terms energy: -228.280015
where:
bonds (distance) C4'-P energy: -62.951
bonds (distance) P-C4' energy: -54.454
flat angles C4'-P-C4' energy: -61.337
flat angles P-C4'-P energy: -38.324
tors. eta vs tors. theta energy: -11.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -465.164697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.164697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.164697 (E_RNA)
where:
Base-Base interactions energy: -236.902
where: short stacking energy: -112.335
Base-Backbone interact. energy: -1.164
local terms energy: -227.099397
where:
bonds (distance) C4'-P energy: -65.310
bonds (distance) P-C4' energy: -66.387
flat angles C4'-P-C4' energy: -57.026
flat angles P-C4'-P energy: -37.459
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: 382
Temperature: 0.900000
Total energy: -1317.045964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.045964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.045964 (E_RNA)
where:
Base-Base interactions energy: -907.636
where: short stacking energy: -391.252
Base-Backbone interact. energy: -0.772
local terms energy: -408.638174
where:
bonds (distance) C4'-P energy: -74.010
bonds (distance) P-C4' energy: -71.595
flat angles C4'-P-C4' energy: -84.496
flat angles P-C4'-P energy: -59.410
tors. eta vs tors. theta energy: -119.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1248.014386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.014386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.014386 (E_RNA)
where:
Base-Base interactions energy: -838.680
where: short stacking energy: -368.272
Base-Backbone interact. energy: -0.923
local terms energy: -408.410975
where:
bonds (distance) C4'-P energy: -72.478
bonds (distance) P-C4' energy: -76.227
flat angles C4'-P-C4' energy: -82.029
flat angles P-C4'-P energy: -62.660
tors. eta vs tors. theta energy: -115.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -1222.505676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.505676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.505676 (E_RNA)
where:
Base-Base interactions energy: -834.914
where: short stacking energy: -348.888
Base-Backbone interact. energy: -2.751
local terms energy: -384.840410
where:
bonds (distance) C4'-P energy: -62.255
bonds (distance) P-C4' energy: -69.660
flat angles C4'-P-C4' energy: -86.775
flat angles P-C4'-P energy: -54.992
tors. eta vs tors. theta energy: -111.158
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: 10
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1036.666760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.666760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.666760 (E_RNA)
where:
Base-Base interactions energy: -700.205
where: short stacking energy: -298.202
Base-Backbone interact. energy: -1.839
local terms energy: -334.622073
where:
bonds (distance) C4'-P energy: -72.211
bonds (distance) P-C4' energy: -56.471
flat angles C4'-P-C4' energy: -78.919
flat angles P-C4'-P energy: -42.605
tors. eta vs tors. theta energy: -84.417
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: 7
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -952.462838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.462838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.462838 (E_RNA)
where:
Base-Base interactions energy: -652.380
where: short stacking energy: -261.735
Base-Backbone interact. energy: -0.873
local terms energy: -299.210109
where:
bonds (distance) C4'-P energy: -69.130
bonds (distance) P-C4' energy: -60.430
flat angles C4'-P-C4' energy: -62.269
flat angles P-C4'-P energy: -43.099
tors. eta vs tors. theta energy: -64.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -876.242587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.242587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.242587 (E_RNA)
where:
Base-Base interactions energy: -563.480
where: short stacking energy: -242.072
Base-Backbone interact. energy: -0.724
local terms energy: -312.038513
where:
bonds (distance) C4'-P energy: -65.409
bonds (distance) P-C4' energy: -67.542
flat angles C4'-P-C4' energy: -79.648
flat angles P-C4'-P energy: -29.464
tors. eta vs tors. theta energy: -69.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -779.214631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.214631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.214631 (E_RNA)
where:
Base-Base interactions energy: -494.267
where: short stacking energy: -236.878
Base-Backbone interact. energy: 0.320
local terms energy: -285.268448
where:
bonds (distance) C4'-P energy: -61.289
bonds (distance) P-C4' energy: -60.535
flat angles C4'-P-C4' energy: -60.885
flat angles P-C4'-P energy: -54.248
tors. eta vs tors. theta energy: -48.312
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: 8
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -580.538285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.538285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.538285 (E_RNA)
where:
Base-Base interactions energy: -316.854
where: short stacking energy: -175.546
Base-Backbone interact. energy: -3.019
local terms energy: -260.666128
where:
bonds (distance) C4'-P energy: -68.883
bonds (distance) P-C4' energy: -54.031
flat angles C4'-P-C4' energy: -71.706
flat angles P-C4'-P energy: -45.904
tors. eta vs tors. theta energy: -20.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -466.383811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.383811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.383811 (E_RNA)
where:
Base-Base interactions energy: -251.183
where: short stacking energy: -133.241
Base-Backbone interact. energy: 2.792
local terms energy: -217.993598
where:
bonds (distance) C4'-P energy: -68.960
bonds (distance) P-C4' energy: -61.144
flat angles C4'-P-C4' energy: -51.066
flat angles P-C4'-P energy: -31.808
tors. eta vs tors. theta energy: -5.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -445.517916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.517916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.517916 (E_RNA)
where:
Base-Base interactions energy: -215.189
where: short stacking energy: -119.939
Base-Backbone interact. energy: -0.802
local terms energy: -229.526393
where:
bonds (distance) C4'-P energy: -59.614
bonds (distance) P-C4' energy: -55.356
flat angles C4'-P-C4' energy: -64.233
flat angles P-C4'-P energy: -48.520
tors. eta vs tors. theta energy: -1.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1309.776976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.776976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.776976 (E_RNA)
where:
Base-Base interactions energy: -917.291
where: short stacking energy: -392.793
Base-Backbone interact. energy: -1.007
local terms energy: -391.478874
where:
bonds (distance) C4'-P energy: -62.709
bonds (distance) P-C4' energy: -60.790
flat angles C4'-P-C4' energy: -92.057
flat angles P-C4'-P energy: -56.043
tors. eta vs tors. theta energy: -119.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1232.212597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.212597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.212597 (E_RNA)
where:
Base-Base interactions energy: -857.115
where: short stacking energy: -370.613
Base-Backbone interact. energy: 0.314
local terms energy: -375.411843
where:
bonds (distance) C4'-P energy: -66.090
bonds (distance) P-C4' energy: -68.127
flat angles C4'-P-C4' energy: -78.137
flat angles P-C4'-P energy: -56.433
tors. eta vs tors. theta energy: -106.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1229.043562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.043562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.043562 (E_RNA)
where:
Base-Base interactions energy: -850.338
where: short stacking energy: -339.151
Base-Backbone interact. energy: -2.860
local terms energy: -375.846191
where:
bonds (distance) C4'-P energy: -60.574
bonds (distance) P-C4' energy: -73.361
flat angles C4'-P-C4' energy: -73.732
flat angles P-C4'-P energy: -55.907
tors. eta vs tors. theta energy: -112.272
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: 10
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1038.066836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.066836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.066836 (E_RNA)
where:
Base-Base interactions energy: -707.250
where: short stacking energy: -295.713
Base-Backbone interact. energy: -2.305
local terms energy: -328.511693
where:
bonds (distance) C4'-P energy: -72.921
bonds (distance) P-C4' energy: -65.819
flat angles C4'-P-C4' energy: -70.640
flat angles P-C4'-P energy: -39.853
tors. eta vs tors. theta energy: -79.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -971.454748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.454748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.454748 (E_RNA)
where:
Base-Base interactions energy: -643.576
where: short stacking energy: -268.521
Base-Backbone interact. energy: 4.512
local terms energy: -332.390727
where:
bonds (distance) C4'-P energy: -67.373
bonds (distance) P-C4' energy: -74.989
flat angles C4'-P-C4' energy: -68.600
flat angles P-C4'-P energy: -50.660
tors. eta vs tors. theta energy: -70.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -881.885826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.885826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.885826 (E_RNA)
where:
Base-Base interactions energy: -557.604
where: short stacking energy: -255.453
Base-Backbone interact. energy: -1.217
local terms energy: -323.064830
where:
bonds (distance) C4'-P energy: -63.523
bonds (distance) P-C4' energy: -70.387
flat angles C4'-P-C4' energy: -67.122
flat angles P-C4'-P energy: -53.181
tors. eta vs tors. theta energy: -68.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -776.965703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.965703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.965703 (E_RNA)
where:
Base-Base interactions energy: -495.123
where: short stacking energy: -227.092
Base-Backbone interact. energy: 0.471
local terms energy: -282.313340
where:
bonds (distance) C4'-P energy: -74.161
bonds (distance) P-C4' energy: -64.359
flat angles C4'-P-C4' energy: -51.519
flat angles P-C4'-P energy: -37.979
tors. eta vs tors. theta energy: -54.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -592.938706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.938706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.938706 (E_RNA)
where:
Base-Base interactions energy: -335.554
where: short stacking energy: -171.493
Base-Backbone interact. energy: -1.282
local terms energy: -256.102276
where:
bonds (distance) C4'-P energy: -61.856
bonds (distance) P-C4' energy: -67.458
flat angles C4'-P-C4' energy: -57.231
flat angles P-C4'-P energy: -44.538
tors. eta vs tors. theta energy: -25.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -468.579549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.579549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.579549 (E_RNA)
where:
Base-Base interactions energy: -244.345
where: short stacking energy: -127.856
Base-Backbone interact. energy: 0.647
local terms energy: -224.881958
where:
bonds (distance) C4'-P energy: -64.267
bonds (distance) P-C4' energy: -65.161
flat angles C4'-P-C4' energy: -63.419
flat angles P-C4'-P energy: -21.604
tors. eta vs tors. theta energy: -10.430
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: 6
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -460.407412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.407412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.407412 (E_RNA)
where:
Base-Base interactions energy: -255.526
where: short stacking energy: -144.860
Base-Backbone interact. energy: 1.737
local terms energy: -206.619205
where:
bonds (distance) C4'-P energy: -53.364
bonds (distance) P-C4' energy: -59.718
flat angles C4'-P-C4' energy: -43.699
flat angles P-C4'-P energy: -43.559
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: 1, replica: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1309.780347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.780347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.780347 (E_RNA)
where:
Base-Base interactions energy: -918.845
where: short stacking energy: -378.811
Base-Backbone interact. energy: 1.151
local terms energy: -392.087020
where:
bonds (distance) C4'-P energy: -68.961
bonds (distance) P-C4' energy: -71.027
flat angles C4'-P-C4' energy: -75.080
flat angles P-C4'-P energy: -56.612
tors. eta vs tors. theta energy: -120.407
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: 384
Temperature: 0.950000
Total energy: -1233.931776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.931776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.931776 (E_RNA)
where:
Base-Base interactions energy: -855.361
where: short stacking energy: -384.447
Base-Backbone interact. energy: 1.066
local terms energy: -379.636824
where:
bonds (distance) C4'-P energy: -59.541
bonds (distance) P-C4' energy: -74.751
flat angles C4'-P-C4' energy: -78.047
flat angles P-C4'-P energy: -48.069
tors. eta vs tors. theta energy: -119.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1205.015249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.015249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.015249 (E_RNA)
where:
Base-Base interactions energy: -817.147
where: short stacking energy: -323.071
Base-Backbone interact. energy: 0.402
local terms energy: -388.270026
where:
bonds (distance) C4'-P energy: -76.068
bonds (distance) P-C4' energy: -72.189
flat angles C4'-P-C4' energy: -85.984
flat angles P-C4'-P energy: -55.732
tors. eta vs tors. theta energy: -98.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1052.874100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.874100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.874100 (E_RNA)
where:
Base-Base interactions energy: -712.801
where: short stacking energy: -300.440
Base-Backbone interact. energy: 3.198
local terms energy: -343.271116
where:
bonds (distance) C4'-P energy: -59.741
bonds (distance) P-C4' energy: -68.070
flat angles C4'-P-C4' energy: -81.589
flat angles P-C4'-P energy: -43.446
tors. eta vs tors. theta energy: -90.425
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: 7
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1003.008360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.008360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.008360 (E_RNA)
where:
Base-Base interactions energy: -673.545
where: short stacking energy: -254.729
Base-Backbone interact. energy: -0.655
local terms energy: -328.808243
where:
bonds (distance) C4'-P energy: -65.989
bonds (distance) P-C4' energy: -70.136
flat angles C4'-P-C4' energy: -82.457
flat angles P-C4'-P energy: -51.549
tors. eta vs tors. theta energy: -58.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -953.241064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.241064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.241064 (E_RNA)
where:
Base-Base interactions energy: -622.979
where: short stacking energy: -282.549
Base-Backbone interact. energy: -0.062
local terms energy: -330.200272
where:
bonds (distance) C4'-P energy: -67.327
bonds (distance) P-C4' energy: -73.389
flat angles C4'-P-C4' energy: -73.409
flat angles P-C4'-P energy: -40.800
tors. eta vs tors. theta energy: -75.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -774.400149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.400149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.400149 (E_RNA)
where:
Base-Base interactions energy: -502.596
where: short stacking energy: -221.442
Base-Backbone interact. energy: 0.646
local terms energy: -272.450164
where:
bonds (distance) C4'-P energy: -55.967
bonds (distance) P-C4' energy: -69.867
flat angles C4'-P-C4' energy: -68.986
flat angles P-C4'-P energy: -30.037
tors. eta vs tors. theta energy: -47.592
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: 8
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -597.142146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.142146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.142146 (E_RNA)
where:
Base-Base interactions energy: -354.160
where: short stacking energy: -186.506
Base-Backbone interact. energy: -0.568
local terms energy: -242.414251
where:
bonds (distance) C4'-P energy: -53.718
bonds (distance) P-C4' energy: -71.104
flat angles C4'-P-C4' energy: -52.706
flat angles P-C4'-P energy: -41.397
tors. eta vs tors. theta energy: -23.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -478.489960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.489960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.489960 (E_RNA)
where:
Base-Base interactions energy: -241.996
where: short stacking energy: -128.214
Base-Backbone interact. energy: 1.728
local terms energy: -238.221809
where:
bonds (distance) C4'-P energy: -67.287
bonds (distance) P-C4' energy: -62.695
flat angles C4'-P-C4' energy: -56.411
flat angles P-C4'-P energy: -39.938
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: 10, replica: 6
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -431.156574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.156574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.156574 (E_RNA)
where:
Base-Base interactions energy: -212.673
where: short stacking energy: -125.118
Base-Backbone interact. energy: -0.102
local terms energy: -218.381051
where:
bonds (distance) C4'-P energy: -60.647
bonds (distance) P-C4' energy: -69.595
flat angles C4'-P-C4' energy: -43.600
flat angles P-C4'-P energy: -32.835
tors. eta vs tors. theta energy: -11.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1311.700560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.700560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.700560 (E_RNA)
where:
Base-Base interactions energy: -895.068
where: short stacking energy: -377.732
Base-Backbone interact. energy: -0.896
local terms energy: -415.736468
where:
bonds (distance) C4'-P energy: -71.373
bonds (distance) P-C4' energy: -75.975
flat angles C4'-P-C4' energy: -88.577
flat angles P-C4'-P energy: -60.159
tors. eta vs tors. theta energy: -119.653
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: 2, replica: 1
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1263.746259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.746259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.746259 (E_RNA)
where:
Base-Base interactions energy: -862.292
where: short stacking energy: -370.840
Base-Backbone interact. energy: -1.585
local terms energy: -399.869301
where:
bonds (distance) C4'-P energy: -72.843
bonds (distance) P-C4' energy: -71.168
flat angles C4'-P-C4' energy: -83.115
flat angles P-C4'-P energy: -52.781
tors. eta vs tors. theta energy: -119.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1220.716467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.716467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.716467 (E_RNA)
where:
Base-Base interactions energy: -832.755
where: short stacking energy: -368.679
Base-Backbone interact. energy: -1.353
local terms energy: -386.608658
where:
bonds (distance) C4'-P energy: -66.250
bonds (distance) P-C4' energy: -70.395
flat angles C4'-P-C4' energy: -87.560
flat angles P-C4'-P energy: -46.861
tors. eta vs tors. theta energy: -115.542
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: 10
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1073.851408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.851408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.851408 (E_RNA)
where:
Base-Base interactions energy: -723.091
where: short stacking energy: -335.603
Base-Backbone interact. energy: 3.141
local terms energy: -353.901209
where:
bonds (distance) C4'-P energy: -67.566
bonds (distance) P-C4' energy: -62.704
flat angles C4'-P-C4' energy: -78.742
flat angles P-C4'-P energy: -50.254
tors. eta vs tors. theta energy: -94.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1011.179490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.179490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.179490 (E_RNA)
where:
Base-Base interactions energy: -685.622
where: short stacking energy: -253.523
Base-Backbone interact. energy: -0.011
local terms energy: -325.547002
where:
bonds (distance) C4'-P energy: -68.547
bonds (distance) P-C4' energy: -63.967
flat angles C4'-P-C4' energy: -74.185
flat angles P-C4'-P energy: -48.054
tors. eta vs tors. theta energy: -70.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -924.267106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.267106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.267106 (E_RNA)
where:
Base-Base interactions energy: -609.097
where: short stacking energy: -279.840
Base-Backbone interact. energy: -0.583
local terms energy: -314.586803
where:
bonds (distance) C4'-P energy: -62.735
bonds (distance) P-C4' energy: -68.414
flat angles C4'-P-C4' energy: -60.281
flat angles P-C4'-P energy: -45.591
tors. eta vs tors. theta energy: -77.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -788.440647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.440647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.440647 (E_RNA)
where:
Base-Base interactions energy: -497.096
where: short stacking energy: -231.000
Base-Backbone interact. energy: 0.747
local terms energy: -292.091728
where:
bonds (distance) C4'-P energy: -68.581
bonds (distance) P-C4' energy: -72.017
flat angles C4'-P-C4' energy: -63.994
flat angles P-C4'-P energy: -30.254
tors. eta vs tors. theta energy: -57.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -609.418047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.418047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.418047 (E_RNA)
where:
Base-Base interactions energy: -356.871
where: short stacking energy: -159.192
Base-Backbone interact. energy: -4.906
local terms energy: -247.640663
where:
bonds (distance) C4'-P energy: -65.266
bonds (distance) P-C4' energy: -60.573
flat angles C4'-P-C4' energy: -64.017
flat angles P-C4'-P energy: -40.849
tors. eta vs tors. theta energy: -16.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -476.471641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.471641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.471641 (E_RNA)
where:
Base-Base interactions energy: -246.498
where: short stacking energy: -124.752
Base-Backbone interact. energy: -1.369
local terms energy: -228.604966
where:
bonds (distance) C4'-P energy: -63.732
bonds (distance) P-C4' energy: -67.499
flat angles C4'-P-C4' energy: -57.762
flat angles P-C4'-P energy: -30.544
tors. eta vs tors. theta energy: -9.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -429.724973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.724973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.724973 (E_RNA)
where:
Base-Base interactions energy: -230.409
where: short stacking energy: -112.771
Base-Backbone interact. energy: 0.041
local terms energy: -199.357201
where:
bonds (distance) C4'-P energy: -56.416
bonds (distance) P-C4' energy: -67.937
flat angles C4'-P-C4' energy: -54.687
flat angles P-C4'-P energy: -24.039
tors. eta vs tors. theta energy: 3.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1313.372895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.372895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.372895 (E_RNA)
where:
Base-Base interactions energy: -912.706
where: short stacking energy: -385.770
Base-Backbone interact. energy: 0.312
local terms energy: -400.979232
where:
bonds (distance) C4'-P energy: -61.754
bonds (distance) P-C4' energy: -74.549
flat angles C4'-P-C4' energy: -88.668
flat angles P-C4'-P energy: -59.248
tors. eta vs tors. theta energy: -116.761
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: 2, replica: 1
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1255.801414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.801414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.801414 (E_RNA)
where:
Base-Base interactions energy: -835.605
where: short stacking energy: -371.542
Base-Backbone interact. energy: -0.706
local terms energy: -419.490629
where:
bonds (distance) C4'-P energy: -82.028
bonds (distance) P-C4' energy: -78.805
flat angles C4'-P-C4' energy: -84.752
flat angles P-C4'-P energy: -62.125
tors. eta vs tors. theta energy: -111.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1204.655744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.655744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.655744 (E_RNA)
where:
Base-Base interactions energy: -807.329
where: short stacking energy: -350.088
Base-Backbone interact. energy: -1.606
local terms energy: -395.720839
where:
bonds (distance) C4'-P energy: -71.928
bonds (distance) P-C4' energy: -74.645
flat angles C4'-P-C4' energy: -80.629
flat angles P-C4'-P energy: -61.219
tors. eta vs tors. theta energy: -107.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1072.785485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.785485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.785485 (E_RNA)
where:
Base-Base interactions energy: -697.227
where: short stacking energy: -321.186
Base-Backbone interact. energy: -0.565
local terms energy: -374.993787
where:
bonds (distance) C4'-P energy: -71.778
bonds (distance) P-C4' energy: -69.146
flat angles C4'-P-C4' energy: -83.665
flat angles P-C4'-P energy: -54.349
tors. eta vs tors. theta energy: -96.055
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: 386
Temperature: 1.100000
Total energy: -1008.563380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.563380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.563380 (E_RNA)
where:
Base-Base interactions energy: -666.052
where: short stacking energy: -271.041
Base-Backbone interact. energy: -3.157
local terms energy: -339.354594
where:
bonds (distance) C4'-P energy: -68.908
bonds (distance) P-C4' energy: -71.893
flat angles C4'-P-C4' energy: -81.628
flat angles P-C4'-P energy: -41.992
tors. eta vs tors. theta energy: -74.933
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: 3
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -940.138725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.138725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.138725 (E_RNA)
where:
Base-Base interactions energy: -611.135
where: short stacking energy: -251.653
Base-Backbone interact. energy: -0.773
local terms energy: -328.231435
where:
bonds (distance) C4'-P energy: -60.138
bonds (distance) P-C4' energy: -78.005
flat angles C4'-P-C4' energy: -78.357
flat angles P-C4'-P energy: -44.689
tors. eta vs tors. theta energy: -67.042
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: 5
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -772.010931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.010931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.010931 (E_RNA)
where:
Base-Base interactions energy: -482.153
where: short stacking energy: -211.007
Base-Backbone interact. energy: -1.774
local terms energy: -288.083877
where:
bonds (distance) C4'-P energy: -58.712
bonds (distance) P-C4' energy: -64.977
flat angles C4'-P-C4' energy: -78.651
flat angles P-C4'-P energy: -42.736
tors. eta vs tors. theta energy: -43.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -580.477772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.477772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.477772 (E_RNA)
where:
Base-Base interactions energy: -332.701
where: short stacking energy: -156.795
Base-Backbone interact. energy: -1.199
local terms energy: -246.578106
where:
bonds (distance) C4'-P energy: -64.032
bonds (distance) P-C4' energy: -56.984
flat angles C4'-P-C4' energy: -63.610
flat angles P-C4'-P energy: -36.625
tors. eta vs tors. theta energy: -25.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -488.426507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.426507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.426507 (E_RNA)
where:
Base-Base interactions energy: -241.134
where: short stacking energy: -133.496
Base-Backbone interact. energy: -1.443
local terms energy: -245.849352
where:
bonds (distance) C4'-P energy: -59.347
bonds (distance) P-C4' energy: -67.120
flat angles C4'-P-C4' energy: -58.347
flat angles P-C4'-P energy: -33.642
tors. eta vs tors. theta energy: -27.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -438.528366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.528366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.528366 (E_RNA)
where:
Base-Base interactions energy: -234.607
where: short stacking energy: -110.620
Base-Backbone interact. energy: -2.492
local terms energy: -201.429906
where:
bonds (distance) C4'-P energy: -60.154
bonds (distance) P-C4' energy: -76.518
flat angles C4'-P-C4' energy: -31.396
flat angles P-C4'-P energy: -33.417
tors. eta vs tors. theta energy: 0.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1326.838604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.838604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.838604 (E_RNA)
where:
Base-Base interactions energy: -912.574
where: short stacking energy: -384.077
Base-Backbone interact. energy: -1.242
local terms energy: -413.022577
where:
bonds (distance) C4'-P energy: -77.208
bonds (distance) P-C4' energy: -68.125
flat angles C4'-P-C4' energy: -87.373
flat angles P-C4'-P energy: -59.313
tors. eta vs tors. theta energy: -121.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1258.969656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.969656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.969656 (E_RNA)
where:
Base-Base interactions energy: -867.247
where: short stacking energy: -369.704
Base-Backbone interact. energy: -3.552
local terms energy: -388.170965
where:
bonds (distance) C4'-P energy: -68.790
bonds (distance) P-C4' energy: -59.202
flat angles C4'-P-C4' energy: -87.905
flat angles P-C4'-P energy: -59.267
tors. eta vs tors. theta energy: -113.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1214.150105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.150105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.150105 (E_RNA)
where:
Base-Base interactions energy: -837.498
where: short stacking energy: -365.575
Base-Backbone interact. energy: -1.372
local terms energy: -375.280172
where:
bonds (distance) C4'-P energy: -71.956
bonds (distance) P-C4' energy: -76.748
flat angles C4'-P-C4' energy: -71.378
flat angles P-C4'-P energy: -53.352
tors. eta vs tors. theta energy: -101.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1080.928508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.928508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.928508 (E_RNA)
where:
Base-Base interactions energy: -728.301
where: short stacking energy: -317.940
Base-Backbone interact. energy: -0.093
local terms energy: -352.535124
where:
bonds (distance) C4'-P energy: -78.202
bonds (distance) P-C4' energy: -62.444
flat angles C4'-P-C4' energy: -71.474
flat angles P-C4'-P energy: -46.098
tors. eta vs tors. theta energy: -94.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1024.145563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.145563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.145563 (E_RNA)
where:
Base-Base interactions energy: -703.271
where: short stacking energy: -293.997
Base-Backbone interact. energy: -0.521
local terms energy: -320.354146
where:
bonds (distance) C4'-P energy: -60.737
bonds (distance) P-C4' energy: -62.210
flat angles C4'-P-C4' energy: -75.247
flat angles P-C4'-P energy: -47.921
tors. eta vs tors. theta energy: -74.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -952.796318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.796318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.796318 (E_RNA)
where:
Base-Base interactions energy: -632.388
where: short stacking energy: -283.695
Base-Backbone interact. energy: 2.506
local terms energy: -322.914909
where:
bonds (distance) C4'-P energy: -66.811
bonds (distance) P-C4' energy: -78.644
flat angles C4'-P-C4' energy: -53.143
flat angles P-C4'-P energy: -53.481
tors. eta vs tors. theta energy: -70.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -804.619687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.619687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.619687 (E_RNA)
where:
Base-Base interactions energy: -507.402
where: short stacking energy: -223.309
Base-Backbone interact. energy: -0.676
local terms energy: -296.542434
where:
bonds (distance) C4'-P energy: -65.180
bonds (distance) P-C4' energy: -70.694
flat angles C4'-P-C4' energy: -73.096
flat angles P-C4'-P energy: -40.653
tors. eta vs tors. theta energy: -46.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -591.597810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.597810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.597810 (E_RNA)
where:
Base-Base interactions energy: -331.583
where: short stacking energy: -164.626
Base-Backbone interact. energy: 1.582
local terms energy: -261.596951
where:
bonds (distance) C4'-P energy: -58.878
bonds (distance) P-C4' energy: -73.017
flat angles C4'-P-C4' energy: -62.185
flat angles P-C4'-P energy: -37.450
tors. eta vs tors. theta energy: -30.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -475.243456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.243456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.243456 (E_RNA)
where:
Base-Base interactions energy: -250.772
where: short stacking energy: -138.048
Base-Backbone interact. energy: -0.828
local terms energy: -223.643711
where:
bonds (distance) C4'-P energy: -49.657
bonds (distance) P-C4' energy: -63.843
flat angles C4'-P-C4' energy: -56.767
flat angles P-C4'-P energy: -34.638
tors. eta vs tors. theta energy: -18.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -479.426139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.426139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.426139 (E_RNA)
where:
Base-Base interactions energy: -251.190
where: short stacking energy: -147.789
Base-Backbone interact. energy: 2.616
local terms energy: -230.852814
where:
bonds (distance) C4'-P energy: -66.431
bonds (distance) P-C4' energy: -58.096
flat angles C4'-P-C4' energy: -54.660
flat angles P-C4'-P energy: -35.526
tors. eta vs tors. theta energy: -16.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1324.573089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.573089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.573089 (E_RNA)
where:
Base-Base interactions energy: -907.953
where: short stacking energy: -401.745
Base-Backbone interact. energy: 0.072
local terms energy: -416.692168
where:
bonds (distance) C4'-P energy: -70.293
bonds (distance) P-C4' energy: -79.692
flat angles C4'-P-C4' energy: -84.528
flat angles P-C4'-P energy: -60.985
tors. eta vs tors. theta energy: -121.194
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: 1
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1245.674128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.674128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.674128 (E_RNA)
where:
Base-Base interactions energy: -851.115
where: short stacking energy: -364.454
Base-Backbone interact. energy: 0.017
local terms energy: -394.576377
where:
bonds (distance) C4'-P energy: -68.354
bonds (distance) P-C4' energy: -77.861
flat angles C4'-P-C4' energy: -83.620
flat angles P-C4'-P energy: -51.908
tors. eta vs tors. theta energy: -112.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1206.664269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.664269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.664269 (E_RNA)
where:
Base-Base interactions energy: -818.731
where: short stacking energy: -352.426
Base-Backbone interact. energy: -0.212
local terms energy: -387.721369
where:
bonds (distance) C4'-P energy: -74.580
bonds (distance) P-C4' energy: -79.023
flat angles C4'-P-C4' energy: -84.366
flat angles P-C4'-P energy: -46.676
tors. eta vs tors. theta energy: -103.077
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: 4, replica: 10
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -1065.708894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.708894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.708894 (E_RNA)
where:
Base-Base interactions energy: -716.255
where: short stacking energy: -325.092
Base-Backbone interact. energy: -1.859
local terms energy: -347.594883
where:
bonds (distance) C4'-P energy: -62.790
bonds (distance) P-C4' energy: -61.979
flat angles C4'-P-C4' energy: -71.022
flat angles P-C4'-P energy: -54.390
tors. eta vs tors. theta energy: -97.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1050.764806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.764806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.764806 (E_RNA)
where:
Base-Base interactions energy: -720.584
where: short stacking energy: -304.078
Base-Backbone interact. energy: -2.954
local terms energy: -327.227277
where:
bonds (distance) C4'-P energy: -67.235
bonds (distance) P-C4' energy: -54.751
flat angles C4'-P-C4' energy: -72.352
flat angles P-C4'-P energy: -44.454
tors. eta vs tors. theta energy: -88.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -921.114793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.114793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.114793 (E_RNA)
where:
Base-Base interactions energy: -598.045
where: short stacking energy: -252.063
Base-Backbone interact. energy: -1.085
local terms energy: -321.984780
where:
bonds (distance) C4'-P energy: -69.080
bonds (distance) P-C4' energy: -66.603
flat angles C4'-P-C4' energy: -75.042
flat angles P-C4'-P energy: -47.266
tors. eta vs tors. theta energy: -63.994
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: 7, replica: 5
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -844.820698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.820698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.820698 (E_RNA)
where:
Base-Base interactions energy: -556.921
where: short stacking energy: -231.782
Base-Backbone interact. energy: 0.591
local terms energy: -288.489939
where:
bonds (distance) C4'-P energy: -65.308
bonds (distance) P-C4' energy: -66.766
flat angles C4'-P-C4' energy: -51.299
flat angles P-C4'-P energy: -41.051
tors. eta vs tors. theta energy: -64.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -587.816463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.816463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.816463 (E_RNA)
where:
Base-Base interactions energy: -331.053
where: short stacking energy: -146.422
Base-Backbone interact. energy: -1.057
local terms energy: -255.706415
where:
bonds (distance) C4'-P energy: -59.874
bonds (distance) P-C4' energy: -65.992
flat angles C4'-P-C4' energy: -65.621
flat angles P-C4'-P energy: -39.527
tors. eta vs tors. theta energy: -24.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -479.648569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.648569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.648569 (E_RNA)
where:
Base-Base interactions energy: -251.857
where: short stacking energy: -134.339
Base-Backbone interact. energy: 0.765
local terms energy: -228.555806
where:
bonds (distance) C4'-P energy: -66.059
bonds (distance) P-C4' energy: -67.158
flat angles C4'-P-C4' energy: -61.372
flat angles P-C4'-P energy: -21.271
tors. eta vs tors. theta energy: -12.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -452.400700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.400700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.400700 (E_RNA)
where:
Base-Base interactions energy: -241.847
where: short stacking energy: -127.123
Base-Backbone interact. energy: 3.471
local terms energy: -214.025155
where:
bonds (distance) C4'-P energy: -59.675
bonds (distance) P-C4' energy: -52.250
flat angles C4'-P-C4' energy: -52.004
flat angles P-C4'-P energy: -37.783
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: 1, replica: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1331.897486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.897486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.897486 (E_RNA)
where:
Base-Base interactions energy: -907.186
where: short stacking energy: -377.261
Base-Backbone interact. energy: 0.278
local terms energy: -424.990237
where:
bonds (distance) C4'-P energy: -76.560
bonds (distance) P-C4' energy: -71.783
flat angles C4'-P-C4' energy: -85.259
flat angles P-C4'-P energy: -69.756
tors. eta vs tors. theta energy: -121.633
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: 1
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1268.180322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.180322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.180322 (E_RNA)
where:
Base-Base interactions energy: -849.244
where: short stacking energy: -369.474
Base-Backbone interact. energy: -2.212
local terms energy: -416.724209
where:
bonds (distance) C4'-P energy: -74.947
bonds (distance) P-C4' energy: -80.923
flat angles C4'-P-C4' energy: -85.809
flat angles P-C4'-P energy: -58.039
tors. eta vs tors. theta energy: -117.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1214.078773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.078773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.078773 (E_RNA)
where:
Base-Base interactions energy: -832.726
where: short stacking energy: -355.445
Base-Backbone interact. energy: 0.200
local terms energy: -381.552915
where:
bonds (distance) C4'-P energy: -71.696
bonds (distance) P-C4' energy: -72.567
flat angles C4'-P-C4' energy: -78.226
flat angles P-C4'-P energy: -52.217
tors. eta vs tors. theta energy: -106.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1081.202641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.202641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.202641 (E_RNA)
where:
Base-Base interactions energy: -707.711
where: short stacking energy: -332.041
Base-Backbone interact. energy: -0.688
local terms energy: -372.803908
where:
bonds (distance) C4'-P energy: -80.900
bonds (distance) P-C4' energy: -69.295
flat angles C4'-P-C4' energy: -81.607
flat angles P-C4'-P energy: -37.168
tors. eta vs tors. theta energy: -103.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1049.049288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.049288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.049288 (E_RNA)
where:
Base-Base interactions energy: -706.354
where: short stacking energy: -297.820
Base-Backbone interact. energy: -0.707
local terms energy: -341.987811
where:
bonds (distance) C4'-P energy: -65.465
bonds (distance) P-C4' energy: -76.665
flat angles C4'-P-C4' energy: -75.218
flat angles P-C4'-P energy: -44.192
tors. eta vs tors. theta energy: -80.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -925.822472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.822472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.822472 (E_RNA)
where:
Base-Base interactions energy: -610.807
where: short stacking energy: -262.464
Base-Backbone interact. energy: -1.952
local terms energy: -313.064122
where:
bonds (distance) C4'-P energy: -68.008
bonds (distance) P-C4' energy: -54.457
flat angles C4'-P-C4' energy: -70.714
flat angles P-C4'-P energy: -40.068
tors. eta vs tors. theta energy: -79.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -819.538012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.538012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.538012 (E_RNA)
where:
Base-Base interactions energy: -537.980
where: short stacking energy: -243.058
Base-Backbone interact. energy: -1.013
local terms energy: -280.544380
where:
bonds (distance) C4'-P energy: -66.929
bonds (distance) P-C4' energy: -74.099
flat angles C4'-P-C4' energy: -51.963
flat angles P-C4'-P energy: -26.473
tors. eta vs tors. theta energy: -61.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -572.728491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.728491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.728491 (E_RNA)
where:
Base-Base interactions energy: -313.393
where: short stacking energy: -156.103
Base-Backbone interact. energy: 2.742
local terms energy: -262.077300
where:
bonds (distance) C4'-P energy: -65.737
bonds (distance) P-C4' energy: -63.624
flat angles C4'-P-C4' energy: -49.700
flat angles P-C4'-P energy: -60.626
tors. eta vs tors. theta energy: -22.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -469.710089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.710089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.710089 (E_RNA)
where:
Base-Base interactions energy: -244.828
where: short stacking energy: -127.030
Base-Backbone interact. energy: -1.423
local terms energy: -223.458752
where:
bonds (distance) C4'-P energy: -61.759
bonds (distance) P-C4' energy: -57.477
flat angles C4'-P-C4' energy: -58.770
flat angles P-C4'-P energy: -34.970
tors. eta vs tors. theta energy: -10.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -430.362898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.362898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.362898 (E_RNA)
where:
Base-Base interactions energy: -209.091
where: short stacking energy: -112.702
Base-Backbone interact. energy: -0.512
local terms energy: -220.760220
where:
bonds (distance) C4'-P energy: -43.079
bonds (distance) P-C4' energy: -68.546
flat angles C4'-P-C4' energy: -48.387
flat angles P-C4'-P energy: -42.256
tors. eta vs tors. theta energy: -18.493
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: 390
Temperature: 0.900000
Total energy: -1344.902731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.902731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.902731 (E_RNA)
where:
Base-Base interactions energy: -935.692
where: short stacking energy: -408.369
Base-Backbone interact. energy: -0.618
local terms energy: -408.592118
where:
bonds (distance) C4'-P energy: -75.895
bonds (distance) P-C4' energy: -69.881
flat angles C4'-P-C4' energy: -87.362
flat angles P-C4'-P energy: -54.411
tors. eta vs tors. theta energy: -121.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1292.012651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.012651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.012651 (E_RNA)
where:
Base-Base interactions energy: -865.921
where: short stacking energy: -375.486
Base-Backbone interact. energy: -3.429
local terms energy: -422.663114
where:
bonds (distance) C4'-P energy: -76.428
bonds (distance) P-C4' energy: -78.626
flat angles C4'-P-C4' energy: -85.371
flat angles P-C4'-P energy: -62.375
tors. eta vs tors. theta energy: -119.863
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: 9
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1201.915816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.915816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.915816 (E_RNA)
where:
Base-Base interactions energy: -830.063
where: short stacking energy: -366.441
Base-Backbone interact. energy: -0.902
local terms energy: -370.951118
where:
bonds (distance) C4'-P energy: -63.416
bonds (distance) P-C4' energy: -71.597
flat angles C4'-P-C4' energy: -75.659
flat angles P-C4'-P energy: -54.715
tors. eta vs tors. theta energy: -105.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -1021.330030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.330030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.330030 (E_RNA)
where:
Base-Base interactions energy: -672.107
where: short stacking energy: -281.599
Base-Backbone interact. energy: -1.569
local terms energy: -347.653682
where:
bonds (distance) C4'-P energy: -61.175
bonds (distance) P-C4' energy: -74.993
flat angles C4'-P-C4' energy: -78.223
flat angles P-C4'-P energy: -48.479
tors. eta vs tors. theta energy: -84.783
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: 7
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1063.351892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.351892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.351892 (E_RNA)
where:
Base-Base interactions energy: -745.676
where: short stacking energy: -325.806
Base-Backbone interact. energy: -0.593
local terms energy: -317.082346
where:
bonds (distance) C4'-P energy: -63.520
bonds (distance) P-C4' energy: -46.399
flat angles C4'-P-C4' energy: -74.516
flat angles P-C4'-P energy: -50.516
tors. eta vs tors. theta energy: -82.132
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: 3
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -944.913293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.913293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.913293 (E_RNA)
where:
Base-Base interactions energy: -625.159
where: short stacking energy: -287.071
Base-Backbone interact. energy: 0.809
local terms energy: -320.563338
where:
bonds (distance) C4'-P energy: -59.746
bonds (distance) P-C4' energy: -66.795
flat angles C4'-P-C4' energy: -68.651
flat angles P-C4'-P energy: -46.960
tors. eta vs tors. theta energy: -78.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -833.011180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.011180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.011180 (E_RNA)
where:
Base-Base interactions energy: -534.393
where: short stacking energy: -252.789
Base-Backbone interact. energy: -0.964
local terms energy: -297.653882
where:
bonds (distance) C4'-P energy: -57.944
bonds (distance) P-C4' energy: -65.817
flat angles C4'-P-C4' energy: -56.487
flat angles P-C4'-P energy: -51.629
tors. eta vs tors. theta energy: -65.776
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: 8
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -594.639406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.639406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.639406 (E_RNA)
where:
Base-Base interactions energy: -363.098
where: short stacking energy: -172.361
Base-Backbone interact. energy: 3.644
local terms energy: -235.185334
where:
bonds (distance) C4'-P energy: -51.745
bonds (distance) P-C4' energy: -55.482
flat angles C4'-P-C4' energy: -59.677
flat angles P-C4'-P energy: -36.606
tors. eta vs tors. theta energy: -31.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -469.134084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.134084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.134084 (E_RNA)
where:
Base-Base interactions energy: -242.611
where: short stacking energy: -108.719
Base-Backbone interact. energy: -1.631
local terms energy: -224.892552
where:
bonds (distance) C4'-P energy: -54.091
bonds (distance) P-C4' energy: -81.839
flat angles C4'-P-C4' energy: -56.057
flat angles P-C4'-P energy: -32.067
tors. eta vs tors. theta energy: -0.838
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: 4
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -436.077700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.077700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.077700 (E_RNA)
where:
Base-Base interactions energy: -209.379
where: short stacking energy: -112.634
Base-Backbone interact. energy: -1.849
local terms energy: -224.849190
where:
bonds (distance) C4'-P energy: -59.591
bonds (distance) P-C4' energy: -72.273
flat angles C4'-P-C4' energy: -54.227
flat angles P-C4'-P energy: -32.858
tors. eta vs tors. theta energy: -5.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1303.342246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.342246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.342246 (E_RNA)
where:
Base-Base interactions energy: -909.426
where: short stacking energy: -385.302
Base-Backbone interact. energy: -0.049
local terms energy: -393.866843
where:
bonds (distance) C4'-P energy: -62.249
bonds (distance) P-C4' energy: -76.880
flat angles C4'-P-C4' energy: -81.178
flat angles P-C4'-P energy: -56.639
tors. eta vs tors. theta energy: -116.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1256.476125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.476125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.476125 (E_RNA)
where:
Base-Base interactions energy: -853.916
where: short stacking energy: -382.424
Base-Backbone interact. energy: -2.989
local terms energy: -399.571767
where:
bonds (distance) C4'-P energy: -79.780
bonds (distance) P-C4' energy: -58.705
flat angles C4'-P-C4' energy: -83.933
flat angles P-C4'-P energy: -60.878
tors. eta vs tors. theta energy: -116.276
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: 9
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1224.918499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.918499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.918499 (E_RNA)
where:
Base-Base interactions energy: -839.087
where: short stacking energy: -362.310
Base-Backbone interact. energy: 0.317
local terms energy: -386.148364
where:
bonds (distance) C4'-P energy: -61.727
bonds (distance) P-C4' energy: -76.613
flat angles C4'-P-C4' energy: -73.024
flat angles P-C4'-P energy: -55.473
tors. eta vs tors. theta energy: -119.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1079.230546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.230546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.230546 (E_RNA)
where:
Base-Base interactions energy: -744.844
where: short stacking energy: -309.295
Base-Backbone interact. energy: -0.880
local terms energy: -333.506435
where:
bonds (distance) C4'-P energy: -64.784
bonds (distance) P-C4' energy: -63.091
flat angles C4'-P-C4' energy: -73.916
flat angles P-C4'-P energy: -51.369
tors. eta vs tors. theta energy: -80.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -962.030989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.030989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.030989 (E_RNA)
where:
Base-Base interactions energy: -641.649
where: short stacking energy: -276.652
Base-Backbone interact. energy: 0.657
local terms energy: -321.039423
where:
bonds (distance) C4'-P energy: -65.998
bonds (distance) P-C4' energy: -68.851
flat angles C4'-P-C4' energy: -74.494
flat angles P-C4'-P energy: -42.334
tors. eta vs tors. theta energy: -69.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -950.107328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.107328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.107328 (E_RNA)
where:
Base-Base interactions energy: -632.711
where: short stacking energy: -278.324
Base-Backbone interact. energy: -0.042
local terms energy: -317.354156
where:
bonds (distance) C4'-P energy: -59.417
bonds (distance) P-C4' energy: -72.043
flat angles C4'-P-C4' energy: -63.160
flat angles P-C4'-P energy: -46.834
tors. eta vs tors. theta energy: -75.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -843.289118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.289118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.289118 (E_RNA)
where:
Base-Base interactions energy: -546.086
where: short stacking energy: -249.412
Base-Backbone interact. energy: 0.569
local terms energy: -297.772706
where:
bonds (distance) C4'-P energy: -54.847
bonds (distance) P-C4' energy: -53.591
flat angles C4'-P-C4' energy: -72.357
flat angles P-C4'-P energy: -44.437
tors. eta vs tors. theta energy: -72.541
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: 8
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -579.259882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.259882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.259882 (E_RNA)
where:
Base-Base interactions energy: -337.312
where: short stacking energy: -168.606
Base-Backbone interact. energy: 0.317
local terms energy: -242.264450
where:
bonds (distance) C4'-P energy: -77.489
bonds (distance) P-C4' energy: -54.040
flat angles C4'-P-C4' energy: -49.047
flat angles P-C4'-P energy: -30.931
tors. eta vs tors. theta energy: -30.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -504.397981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.397981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.397981 (E_RNA)
where:
Base-Base interactions energy: -283.735
where: short stacking energy: -147.804
Base-Backbone interact. energy: -1.800
local terms energy: -218.862593
where:
bonds (distance) C4'-P energy: -55.571
bonds (distance) P-C4' energy: -59.182
flat angles C4'-P-C4' energy: -47.196
flat angles P-C4'-P energy: -40.432
tors. eta vs tors. theta energy: -16.482
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: 4
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -439.225740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.225740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.225740 (E_RNA)
where:
Base-Base interactions energy: -233.958
where: short stacking energy: -123.448
Base-Backbone interact. energy: 1.163
local terms energy: -206.430957
where:
bonds (distance) C4'-P energy: -57.920
bonds (distance) P-C4' energy: -69.467
flat angles C4'-P-C4' energy: -45.658
flat angles P-C4'-P energy: -36.860
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: 1, replica: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1307.649028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.649028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.649028 (E_RNA)
where:
Base-Base interactions energy: -903.273
where: short stacking energy: -376.083
Base-Backbone interact. energy: -1.342
local terms energy: -403.033978
where:
bonds (distance) C4'-P energy: -76.125
bonds (distance) P-C4' energy: -76.684
flat angles C4'-P-C4' energy: -83.112
flat angles P-C4'-P energy: -60.925
tors. eta vs tors. theta energy: -106.187
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: 1
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1264.911892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.911892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.911892 (E_RNA)
where:
Base-Base interactions energy: -844.067
where: short stacking energy: -357.957
Base-Backbone interact. energy: -3.728
local terms energy: -417.117422
where:
bonds (distance) C4'-P energy: -72.480
bonds (distance) P-C4' energy: -79.872
flat angles C4'-P-C4' energy: -84.340
flat angles P-C4'-P energy: -62.461
tors. eta vs tors. theta energy: -117.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1231.032127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.032127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.032127 (E_RNA)
where:
Base-Base interactions energy: -838.301
where: short stacking energy: -374.742
Base-Backbone interact. energy: -0.953
local terms energy: -391.779026
where:
bonds (distance) C4'-P energy: -70.800
bonds (distance) P-C4' energy: -68.491
flat angles C4'-P-C4' energy: -82.044
flat angles P-C4'-P energy: -58.237
tors. eta vs tors. theta energy: -112.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1116.132974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.132974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.132974 (E_RNA)
where:
Base-Base interactions energy: -753.799
where: short stacking energy: -338.301
Base-Backbone interact. energy: -2.194
local terms energy: -360.139746
where:
bonds (distance) C4'-P energy: -65.507
bonds (distance) P-C4' energy: -72.226
flat angles C4'-P-C4' energy: -78.493
flat angles P-C4'-P energy: -60.829
tors. eta vs tors. theta energy: -83.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1002.223642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.223642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.223642 (E_RNA)
where:
Base-Base interactions energy: -660.329
where: short stacking energy: -300.120
Base-Backbone interact. energy: -2.326
local terms energy: -339.568795
where:
bonds (distance) C4'-P energy: -69.956
bonds (distance) P-C4' energy: -73.804
flat angles C4'-P-C4' energy: -59.455
flat angles P-C4'-P energy: -49.946
tors. eta vs tors. theta energy: -86.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -888.089800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.089800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.089800 (E_RNA)
where:
Base-Base interactions energy: -574.453
where: short stacking energy: -248.061
Base-Backbone interact. energy: -0.042
local terms energy: -313.595180
where:
bonds (distance) C4'-P energy: -68.246
bonds (distance) P-C4' energy: -62.334
flat angles C4'-P-C4' energy: -80.611
flat angles P-C4'-P energy: -42.587
tors. eta vs tors. theta energy: -59.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -830.245419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.245419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.245419 (E_RNA)
where:
Base-Base interactions energy: -533.704
where: short stacking energy: -229.577
Base-Backbone interact. energy: -0.093
local terms energy: -296.448303
where:
bonds (distance) C4'-P energy: -74.234
bonds (distance) P-C4' energy: -64.334
flat angles C4'-P-C4' energy: -64.192
flat angles P-C4'-P energy: -33.993
tors. eta vs tors. theta energy: -59.696
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: 8, replica: 8
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -551.372212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.372212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.372212 (E_RNA)
where:
Base-Base interactions energy: -322.245
where: short stacking energy: -156.171
Base-Backbone interact. energy: -2.056
local terms energy: -227.070857
where:
bonds (distance) C4'-P energy: -62.723
bonds (distance) P-C4' energy: -67.074
flat angles C4'-P-C4' energy: -56.058
flat angles P-C4'-P energy: -25.937
tors. eta vs tors. theta energy: -15.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -478.643189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.643189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.643189 (E_RNA)
where:
Base-Base interactions energy: -240.986
where: short stacking energy: -100.642
Base-Backbone interact. energy: -2.357
local terms energy: -235.300486
where:
bonds (distance) C4'-P energy: -60.693
bonds (distance) P-C4' energy: -66.929
flat angles C4'-P-C4' energy: -68.645
flat angles P-C4'-P energy: -40.393
tors. eta vs tors. theta energy: 1.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -498.122731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.122731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.122731 (E_RNA)
where:
Base-Base interactions energy: -259.840
where: short stacking energy: -128.596
Base-Backbone interact. energy: -0.798
local terms energy: -237.485300
where:
bonds (distance) C4'-P energy: -69.247
bonds (distance) P-C4' energy: -69.191
flat angles C4'-P-C4' energy: -54.864
flat angles P-C4'-P energy: -23.462
tors. eta vs tors. theta energy: -20.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1328.229160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.229160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.229160 (E_RNA)
where:
Base-Base interactions energy: -930.800
where: short stacking energy: -395.604
Base-Backbone interact. energy: -1.316
local terms energy: -396.113116
where:
bonds (distance) C4'-P energy: -71.542
bonds (distance) P-C4' energy: -67.943
flat angles C4'-P-C4' energy: -80.106
flat angles P-C4'-P energy: -60.951
tors. eta vs tors. theta energy: -115.571
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: 1
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1248.868095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.868095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.868095 (E_RNA)
where:
Base-Base interactions energy: -860.418
where: short stacking energy: -369.719
Base-Backbone interact. energy: -3.271
local terms energy: -385.178971
where:
bonds (distance) C4'-P energy: -65.159
bonds (distance) P-C4' energy: -70.273
flat angles C4'-P-C4' energy: -78.002
flat angles P-C4'-P energy: -60.126
tors. eta vs tors. theta energy: -111.620
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: 9
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1210.396650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.396650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.396650 (E_RNA)
where:
Base-Base interactions energy: -827.385
where: short stacking energy: -359.347
Base-Backbone interact. energy: -1.660
local terms energy: -381.352128
where:
bonds (distance) C4'-P energy: -68.849
bonds (distance) P-C4' energy: -64.966
flat angles C4'-P-C4' energy: -79.491
flat angles P-C4'-P energy: -54.105
tors. eta vs tors. theta energy: -113.941
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: 7
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1091.749188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.749188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.749188 (E_RNA)
where:
Base-Base interactions energy: -731.321
where: short stacking energy: -304.448
Base-Backbone interact. energy: -2.194
local terms energy: -358.234893
where:
bonds (distance) C4'-P energy: -55.347
bonds (distance) P-C4' energy: -80.316
flat angles C4'-P-C4' energy: -75.150
flat angles P-C4'-P energy: -51.697
tors. eta vs tors. theta energy: -95.725
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: 5, replica: 10
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -972.485481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.485481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.485481 (E_RNA)
where:
Base-Base interactions energy: -648.883
where: short stacking energy: -276.764
Base-Backbone interact. energy: -1.126
local terms energy: -322.476362
where:
bonds (distance) C4'-P energy: -68.210
bonds (distance) P-C4' energy: -72.610
flat angles C4'-P-C4' energy: -71.303
flat angles P-C4'-P energy: -45.136
tors. eta vs tors. theta energy: -65.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -923.263474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.263474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.263474 (E_RNA)
where:
Base-Base interactions energy: -607.209
where: short stacking energy: -260.988
Base-Backbone interact. energy: -0.565
local terms energy: -315.489079
where:
bonds (distance) C4'-P energy: -64.427
bonds (distance) P-C4' energy: -74.220
flat angles C4'-P-C4' energy: -66.924
flat angles P-C4'-P energy: -42.759
tors. eta vs tors. theta energy: -67.158
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: 7, replica: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -816.026909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.026909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.026909 (E_RNA)
where:
Base-Base interactions energy: -531.137
where: short stacking energy: -231.451
Base-Backbone interact. energy: -0.594
local terms energy: -284.295320
where:
bonds (distance) C4'-P energy: -58.825
bonds (distance) P-C4' energy: -57.886
flat angles C4'-P-C4' energy: -63.510
flat angles P-C4'-P energy: -48.193
tors. eta vs tors. theta energy: -55.881
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: 8
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -590.986976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.986976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.986976 (E_RNA)
where:
Base-Base interactions energy: -331.714
where: short stacking energy: -165.526
Base-Backbone interact. energy: -1.982
local terms energy: -257.291202
where:
bonds (distance) C4'-P energy: -62.716
bonds (distance) P-C4' energy: -66.735
flat angles C4'-P-C4' energy: -60.779
flat angles P-C4'-P energy: -41.021
tors. eta vs tors. theta energy: -26.039
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: 4
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -500.171690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.171690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.171690 (E_RNA)
where:
Base-Base interactions energy: -268.285
where: short stacking energy: -132.357
Base-Backbone interact. energy: 2.202
local terms energy: -234.089232
where:
bonds (distance) C4'-P energy: -41.983
bonds (distance) P-C4' energy: -72.774
flat angles C4'-P-C4' energy: -59.176
flat angles P-C4'-P energy: -44.887
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: 10, replica: 6
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -458.614294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.614294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.614294 (E_RNA)
where:
Base-Base interactions energy: -248.802
where: short stacking energy: -130.172
Base-Backbone interact. energy: 0.951
local terms energy: -210.763785
where:
bonds (distance) C4'-P energy: -57.147
bonds (distance) P-C4' energy: -63.283
flat angles C4'-P-C4' energy: -56.017
flat angles P-C4'-P energy: -25.281
tors. eta vs tors. theta energy: -9.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1342.425377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.425377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.425377 (E_RNA)
where:
Base-Base interactions energy: -929.941
where: short stacking energy: -397.946
Base-Backbone interact. energy: -0.352
local terms energy: -412.132199
where:
bonds (distance) C4'-P energy: -69.611
bonds (distance) P-C4' energy: -63.942
flat angles C4'-P-C4' energy: -93.317
flat angles P-C4'-P energy: -66.322
tors. eta vs tors. theta energy: -118.940
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: 1
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1250.012247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.012247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.012247 (E_RNA)
where:
Base-Base interactions energy: -858.101
where: short stacking energy: -371.377
Base-Backbone interact. energy: 0.990
local terms energy: -392.901059
where:
bonds (distance) C4'-P energy: -73.494
bonds (distance) P-C4' energy: -73.017
flat angles C4'-P-C4' energy: -77.869
flat angles P-C4'-P energy: -52.348
tors. eta vs tors. theta energy: -116.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1173.895900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.895900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.895900 (E_RNA)
where:
Base-Base interactions energy: -789.591
where: short stacking energy: -347.979
Base-Backbone interact. energy: -0.079
local terms energy: -384.225256
where:
bonds (distance) C4'-P energy: -65.744
bonds (distance) P-C4' energy: -72.366
flat angles C4'-P-C4' energy: -80.733
flat angles P-C4'-P energy: -58.547
tors. eta vs tors. theta energy: -106.834
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: 7
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1082.934699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.934699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.934699 (E_RNA)
where:
Base-Base interactions energy: -734.721
where: short stacking energy: -298.428
Base-Backbone interact. energy: -0.361
local terms energy: -347.852196
where:
bonds (distance) C4'-P energy: -64.592
bonds (distance) P-C4' energy: -70.996
flat angles C4'-P-C4' energy: -81.715
flat angles P-C4'-P energy: -47.049
tors. eta vs tors. theta energy: -83.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -978.256980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.256980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.256980 (E_RNA)
where:
Base-Base interactions energy: -639.714
where: short stacking energy: -297.594
Base-Backbone interact. energy: 0.514
local terms energy: -339.057501
where:
bonds (distance) C4'-P energy: -69.073
bonds (distance) P-C4' energy: -65.545
flat angles C4'-P-C4' energy: -79.736
flat angles P-C4'-P energy: -41.689
tors. eta vs tors. theta energy: -83.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -922.396527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.396527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.396527 (E_RNA)
where:
Base-Base interactions energy: -625.771
where: short stacking energy: -275.224
Base-Backbone interact. energy: 0.570
local terms energy: -297.196409
where:
bonds (distance) C4'-P energy: -51.198
bonds (distance) P-C4' energy: -63.890
flat angles C4'-P-C4' energy: -63.208
flat angles P-C4'-P energy: -50.205
tors. eta vs tors. theta energy: -68.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -818.830088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.830088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.830088 (E_RNA)
where:
Base-Base interactions energy: -519.915
where: short stacking energy: -222.801
Base-Backbone interact. energy: -0.973
local terms energy: -297.941243
where:
bonds (distance) C4'-P energy: -57.238
bonds (distance) P-C4' energy: -65.251
flat angles C4'-P-C4' energy: -72.723
flat angles P-C4'-P energy: -44.975
tors. eta vs tors. theta energy: -57.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -558.492650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.492650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.492650 (E_RNA)
where:
Base-Base interactions energy: -313.500
where: short stacking energy: -144.525
Base-Backbone interact. energy: -1.262
local terms energy: -243.730118
where:
bonds (distance) C4'-P energy: -60.658
bonds (distance) P-C4' energy: -63.215
flat angles C4'-P-C4' energy: -74.008
flat angles P-C4'-P energy: -33.429
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: 9, replica: 6
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -460.475597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.475597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.475597 (E_RNA)
where:
Base-Base interactions energy: -227.853
where: short stacking energy: -122.975
Base-Backbone interact. energy: -1.661
local terms energy: -230.961275
where:
bonds (distance) C4'-P energy: -65.724
bonds (distance) P-C4' energy: -61.098
flat angles C4'-P-C4' energy: -53.910
flat angles P-C4'-P energy: -42.436
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: 10, replica: 4
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -454.821512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.821512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.821512 (E_RNA)
where:
Base-Base interactions energy: -246.313
where: short stacking energy: -130.150
Base-Backbone interact. energy: -2.033
local terms energy: -206.474937
where:
bonds (distance) C4'-P energy: -53.012
bonds (distance) P-C4' energy: -61.192
flat angles C4'-P-C4' energy: -54.541
flat angles P-C4'-P energy: -34.101
tors. eta vs tors. theta energy: -3.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1323.904536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.904536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.904536 (E_RNA)
where:
Base-Base interactions energy: -905.426
where: short stacking energy: -393.901
Base-Backbone interact. energy: -0.506
local terms energy: -417.972869
where:
bonds (distance) C4'-P energy: -67.212
bonds (distance) P-C4' energy: -74.705
flat angles C4'-P-C4' energy: -90.933
flat angles P-C4'-P energy: -66.475
tors. eta vs tors. theta energy: -118.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1255.299601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.299601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.299601 (E_RNA)
where:
Base-Base interactions energy: -852.987
where: short stacking energy: -370.600
Base-Backbone interact. energy: -2.881
local terms energy: -399.431570
where:
bonds (distance) C4'-P energy: -63.101
bonds (distance) P-C4' energy: -75.209
flat angles C4'-P-C4' energy: -89.413
flat angles P-C4'-P energy: -60.808
tors. eta vs tors. theta energy: -110.901
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: 395
Temperature: 1.000000
Total energy: -1184.297256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.297256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.297256 (E_RNA)
where:
Base-Base interactions energy: -798.157
where: short stacking energy: -345.896
Base-Backbone interact. energy: -1.098
local terms energy: -385.041902
where:
bonds (distance) C4'-P energy: -69.094
bonds (distance) P-C4' energy: -68.223
flat angles C4'-P-C4' energy: -77.102
flat angles P-C4'-P energy: -57.206
tors. eta vs tors. theta energy: -113.418
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: 7
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -1116.334757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.334757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.334757 (E_RNA)
where:
Base-Base interactions energy: -775.884
where: short stacking energy: -317.166
Base-Backbone interact. energy: -2.009
local terms energy: -338.441882
where:
bonds (distance) C4'-P energy: -64.660
bonds (distance) P-C4' energy: -69.849
flat angles C4'-P-C4' energy: -62.939
flat angles P-C4'-P energy: -49.795
tors. eta vs tors. theta energy: -91.198
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: 10
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -988.350856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.350856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.350856 (E_RNA)
where:
Base-Base interactions energy: -658.283
where: short stacking energy: -288.825
Base-Backbone interact. energy: -1.141
local terms energy: -328.926529
where:
bonds (distance) C4'-P energy: -64.852
bonds (distance) P-C4' energy: -64.784
flat angles C4'-P-C4' energy: -72.164
flat angles P-C4'-P energy: -43.026
tors. eta vs tors. theta energy: -84.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -850.423119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.423119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.423119 (E_RNA)
where:
Base-Base interactions energy: -525.094
where: short stacking energy: -227.569
Base-Backbone interact. energy: -1.837
local terms energy: -323.491660
where:
bonds (distance) C4'-P energy: -61.734
bonds (distance) P-C4' energy: -78.544
flat angles C4'-P-C4' energy: -78.815
flat angles P-C4'-P energy: -45.002
tors. eta vs tors. theta energy: -59.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -908.911722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.911722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.911722 (E_RNA)
where:
Base-Base interactions energy: -605.625
where: short stacking energy: -253.040
Base-Backbone interact. energy: 1.696
local terms energy: -304.982609
where:
bonds (distance) C4'-P energy: -52.106
bonds (distance) P-C4' energy: -66.386
flat angles C4'-P-C4' energy: -58.593
flat angles P-C4'-P energy: -53.293
tors. eta vs tors. theta energy: -74.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -602.676777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.676777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.676777 (E_RNA)
where:
Base-Base interactions energy: -350.054
where: short stacking energy: -167.850
Base-Backbone interact. energy: -0.309
local terms energy: -252.313671
where:
bonds (distance) C4'-P energy: -56.395
bonds (distance) P-C4' energy: -69.587
flat angles C4'-P-C4' energy: -58.964
flat angles P-C4'-P energy: -34.617
tors. eta vs tors. theta energy: -32.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -468.144789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.144789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.144789 (E_RNA)
where:
Base-Base interactions energy: -236.956
where: short stacking energy: -117.960
Base-Backbone interact. energy: 1.332
local terms energy: -232.520918
where:
bonds (distance) C4'-P energy: -62.233
bonds (distance) P-C4' energy: -73.194
flat angles C4'-P-C4' energy: -54.063
flat angles P-C4'-P energy: -26.023
tors. eta vs tors. theta energy: -17.008
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: 4
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -453.807384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.807384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.807384 (E_RNA)
where:
Base-Base interactions energy: -240.591
where: short stacking energy: -118.464
Base-Backbone interact. energy: 3.771
local terms energy: -216.987546
where:
bonds (distance) C4'-P energy: -56.716
bonds (distance) P-C4' energy: -60.631
flat angles C4'-P-C4' energy: -58.983
flat angles P-C4'-P energy: -34.104
tors. eta vs tors. theta energy: -6.553
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: 1, replica: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1318.799467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.799467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.799467 (E_RNA)
where:
Base-Base interactions energy: -927.981
where: short stacking energy: -394.496
Base-Backbone interact. energy: -2.538
local terms energy: -388.280969
where:
bonds (distance) C4'-P energy: -76.282
bonds (distance) P-C4' energy: -69.697
flat angles C4'-P-C4' energy: -83.657
flat angles P-C4'-P energy: -51.903
tors. eta vs tors. theta energy: -106.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1262.696073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.696073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.696073 (E_RNA)
where:
Base-Base interactions energy: -881.528
where: short stacking energy: -367.456
Base-Backbone interact. energy: -0.061
local terms energy: -381.106795
where:
bonds (distance) C4'-P energy: -70.014
bonds (distance) P-C4' energy: -69.967
flat angles C4'-P-C4' energy: -81.321
flat angles P-C4'-P energy: -53.117
tors. eta vs tors. theta energy: -106.688
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: 396
Temperature: 1.000000
Total energy: -1211.143008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.143008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.143008 (E_RNA)
where:
Base-Base interactions energy: -835.331
where: short stacking energy: -357.572
Base-Backbone interact. energy: -0.803
local terms energy: -375.008280
where:
bonds (distance) C4'-P energy: -63.923
bonds (distance) P-C4' energy: -70.301
flat angles C4'-P-C4' energy: -74.992
flat angles P-C4'-P energy: -53.621
tors. eta vs tors. theta energy: -112.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1064.434228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.434228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.434228 (E_RNA)
where:
Base-Base interactions energy: -718.194
where: short stacking energy: -299.009
Base-Backbone interact. energy: -0.785
local terms energy: -345.455513
where:
bonds (distance) C4'-P energy: -54.987
bonds (distance) P-C4' energy: -77.677
flat angles C4'-P-C4' energy: -69.155
flat angles P-C4'-P energy: -51.589
tors. eta vs tors. theta energy: -92.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -995.109519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.109519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.109519 (E_RNA)
where:
Base-Base interactions energy: -660.857
where: short stacking energy: -277.318
Base-Backbone interact. energy: -1.718
local terms energy: -332.534562
where:
bonds (distance) C4'-P energy: -62.168
bonds (distance) P-C4' energy: -70.537
flat angles C4'-P-C4' energy: -69.181
flat angles P-C4'-P energy: -54.977
tors. eta vs tors. theta energy: -75.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -860.804681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.804681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.804681 (E_RNA)
where:
Base-Base interactions energy: -561.701
where: short stacking energy: -256.095
Base-Backbone interact. energy: 0.610
local terms energy: -299.713910
where:
bonds (distance) C4'-P energy: -60.825
bonds (distance) P-C4' energy: -61.171
flat angles C4'-P-C4' energy: -69.702
flat angles P-C4'-P energy: -44.894
tors. eta vs tors. theta energy: -63.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -859.712378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.712378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.712378 (E_RNA)
where:
Base-Base interactions energy: -556.010
where: short stacking energy: -247.045
Base-Backbone interact. energy: -1.446
local terms energy: -302.257007
where:
bonds (distance) C4'-P energy: -53.593
bonds (distance) P-C4' energy: -56.400
flat angles C4'-P-C4' energy: -78.940
flat angles P-C4'-P energy: -48.557
tors. eta vs tors. theta energy: -64.767
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: 396
Temperature: 1.250000
Total energy: -599.277866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.277866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.277866 (E_RNA)
where:
Base-Base interactions energy: -342.316
where: short stacking energy: -162.320
Base-Backbone interact. energy: -1.550
local terms energy: -255.411650
where:
bonds (distance) C4'-P energy: -63.993
bonds (distance) P-C4' energy: -60.457
flat angles C4'-P-C4' energy: -67.492
flat angles P-C4'-P energy: -32.344
tors. eta vs tors. theta energy: -31.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -479.602231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.602231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.602231 (E_RNA)
where:
Base-Base interactions energy: -261.722
where: short stacking energy: -137.826
Base-Backbone interact. energy: -0.026
local terms energy: -217.853707
where:
bonds (distance) C4'-P energy: -56.073
bonds (distance) P-C4' energy: -68.590
flat angles C4'-P-C4' energy: -57.117
flat angles P-C4'-P energy: -27.390
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: 10, replica: 6
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -439.521845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.521845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.521845 (E_RNA)
where:
Base-Base interactions energy: -212.052
where: short stacking energy: -109.709
Base-Backbone interact. energy: -1.109
local terms energy: -226.360378
where:
bonds (distance) C4'-P energy: -59.095
bonds (distance) P-C4' energy: -61.113
flat angles C4'-P-C4' energy: -60.746
flat angles P-C4'-P energy: -40.848
tors. eta vs tors. theta energy: -4.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1321.606029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.606029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.606029 (E_RNA)
where:
Base-Base interactions energy: -900.613
where: short stacking energy: -382.649
Base-Backbone interact. energy: -1.571
local terms energy: -419.422326
where:
bonds (distance) C4'-P energy: -77.872
bonds (distance) P-C4' energy: -73.695
flat angles C4'-P-C4' energy: -88.333
flat angles P-C4'-P energy: -60.824
tors. eta vs tors. theta energy: -118.699
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: 2, replica: 1
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1259.830627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.830627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.830627 (E_RNA)
where:
Base-Base interactions energy: -857.777
where: short stacking energy: -355.809
Base-Backbone interact. energy: -2.486
local terms energy: -399.567130
where:
bonds (distance) C4'-P energy: -80.794
bonds (distance) P-C4' energy: -71.943
flat angles C4'-P-C4' energy: -84.044
flat angles P-C4'-P energy: -54.053
tors. eta vs tors. theta energy: -108.733
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: 9
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1212.232565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.232565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.232565 (E_RNA)
where:
Base-Base interactions energy: -838.566
where: short stacking energy: -363.389
Base-Backbone interact. energy: -0.841
local terms energy: -372.825003
where:
bonds (distance) C4'-P energy: -68.951
bonds (distance) P-C4' energy: -53.473
flat angles C4'-P-C4' energy: -85.286
flat angles P-C4'-P energy: -52.275
tors. eta vs tors. theta energy: -112.840
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: 7
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -1047.815360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.815360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.815360 (E_RNA)
where:
Base-Base interactions energy: -703.134
where: short stacking energy: -282.409
Base-Backbone interact. energy: -2.102
local terms energy: -342.579092
where:
bonds (distance) C4'-P energy: -72.608
bonds (distance) P-C4' energy: -65.352
flat angles C4'-P-C4' energy: -76.794
flat angles P-C4'-P energy: -57.497
tors. eta vs tors. theta energy: -70.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1005.543034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.543034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.543034 (E_RNA)
where:
Base-Base interactions energy: -683.315
where: short stacking energy: -304.212
Base-Backbone interact. energy: -1.055
local terms energy: -321.173681
where:
bonds (distance) C4'-P energy: -64.740
bonds (distance) P-C4' energy: -63.615
flat angles C4'-P-C4' energy: -77.461
flat angles P-C4'-P energy: -39.489
tors. eta vs tors. theta energy: -75.869
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: 5
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -867.110470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.110470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.110470 (E_RNA)
where:
Base-Base interactions energy: -564.481
where: short stacking energy: -261.897
Base-Backbone interact. energy: -1.650
local terms energy: -300.979041
where:
bonds (distance) C4'-P energy: -50.710
bonds (distance) P-C4' energy: -62.189
flat angles C4'-P-C4' energy: -73.893
flat angles P-C4'-P energy: -44.319
tors. eta vs tors. theta energy: -69.869
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: 3
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -797.031939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.031939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.031939 (E_RNA)
where:
Base-Base interactions energy: -513.238
where: short stacking energy: -201.723
Base-Backbone interact. energy: -1.205
local terms energy: -282.589230
where:
bonds (distance) C4'-P energy: -63.689
bonds (distance) P-C4' energy: -71.365
flat angles C4'-P-C4' energy: -65.197
flat angles P-C4'-P energy: -45.044
tors. eta vs tors. theta energy: -37.294
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: 8
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -579.533777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.533777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.533777 (E_RNA)
where:
Base-Base interactions energy: -331.732
where: short stacking energy: -154.563
Base-Backbone interact. energy: -2.125
local terms energy: -245.676764
where:
bonds (distance) C4'-P energy: -37.046
bonds (distance) P-C4' energy: -69.458
flat angles C4'-P-C4' energy: -68.333
flat angles P-C4'-P energy: -44.833
tors. eta vs tors. theta energy: -26.006
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: 4
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -473.940263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.940263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.940263 (E_RNA)
where:
Base-Base interactions energy: -244.345
where: short stacking energy: -145.534
Base-Backbone interact. energy: -1.410
local terms energy: -228.185047
where:
bonds (distance) C4'-P energy: -63.984
bonds (distance) P-C4' energy: -56.484
flat angles C4'-P-C4' energy: -57.071
flat angles P-C4'-P energy: -35.779
tors. eta vs tors. theta energy: -14.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -458.271747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.271747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.271747 (E_RNA)
where:
Base-Base interactions energy: -239.421
where: short stacking energy: -130.922
Base-Backbone interact. energy: 3.694
local terms energy: -222.544580
where:
bonds (distance) C4'-P energy: -46.657
bonds (distance) P-C4' energy: -78.184
flat angles C4'-P-C4' energy: -44.401
flat angles P-C4'-P energy: -37.272
tors. eta vs tors. theta energy: -16.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1308.432976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.432976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.432976 (E_RNA)
where:
Base-Base interactions energy: -889.109
where: short stacking energy: -378.756
Base-Backbone interact. energy: -0.902
local terms energy: -418.422433
where:
bonds (distance) C4'-P energy: -75.748
bonds (distance) P-C4' energy: -83.388
flat angles C4'-P-C4' energy: -86.874
flat angles P-C4'-P energy: -52.315
tors. eta vs tors. theta energy: -120.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1257.389574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.389574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.389574 (E_RNA)
where:
Base-Base interactions energy: -861.543
where: short stacking energy: -369.344
Base-Backbone interact. energy: -3.862
local terms energy: -391.983903
where:
bonds (distance) C4'-P energy: -76.121
bonds (distance) P-C4' energy: -72.894
flat angles C4'-P-C4' energy: -80.650
flat angles P-C4'-P energy: -52.242
tors. eta vs tors. theta energy: -110.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -1170.349536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.349536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.349536 (E_RNA)
where:
Base-Base interactions energy: -805.642
where: short stacking energy: -348.073
Base-Backbone interact. energy: 0.357
local terms energy: -365.064051
where:
bonds (distance) C4'-P energy: -67.044
bonds (distance) P-C4' energy: -69.457
flat angles C4'-P-C4' energy: -79.414
flat angles P-C4'-P energy: -42.189
tors. eta vs tors. theta energy: -106.960
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: 7
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -1060.566091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.566091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.566091 (E_RNA)
where:
Base-Base interactions energy: -737.290
where: short stacking energy: -303.141
Base-Backbone interact. energy: -2.967
local terms energy: -320.308909
where:
bonds (distance) C4'-P energy: -66.153
bonds (distance) P-C4' energy: -58.235
flat angles C4'-P-C4' energy: -73.848
flat angles P-C4'-P energy: -40.591
tors. eta vs tors. theta energy: -81.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -1001.720138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.720138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.720138 (E_RNA)
where:
Base-Base interactions energy: -653.059
where: short stacking energy: -306.466
Base-Backbone interact. energy: -0.870
local terms energy: -347.790879
where:
bonds (distance) C4'-P energy: -66.005
bonds (distance) P-C4' energy: -61.701
flat angles C4'-P-C4' energy: -77.160
flat angles P-C4'-P energy: -52.325
tors. eta vs tors. theta energy: -90.600
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: 5
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -914.982842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.982842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.982842 (E_RNA)
where:
Base-Base interactions energy: -590.340
where: short stacking energy: -295.889
Base-Backbone interact. energy: 0.004
local terms energy: -324.646228
where:
bonds (distance) C4'-P energy: -60.589
bonds (distance) P-C4' energy: -63.399
flat angles C4'-P-C4' energy: -72.702
flat angles P-C4'-P energy: -46.736
tors. eta vs tors. theta energy: -81.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -802.277302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.277302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.277302 (E_RNA)
where:
Base-Base interactions energy: -510.645
where: short stacking energy: -211.564
Base-Backbone interact. energy: -0.455
local terms energy: -291.177472
where:
bonds (distance) C4'-P energy: -66.590
bonds (distance) P-C4' energy: -64.722
flat angles C4'-P-C4' energy: -65.560
flat angles P-C4'-P energy: -48.246
tors. eta vs tors. theta energy: -46.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -631.212722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.212722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.212722 (E_RNA)
where:
Base-Base interactions energy: -352.226
where: short stacking energy: -186.202
Base-Backbone interact. energy: -3.403
local terms energy: -275.583884
where:
bonds (distance) C4'-P energy: -63.403
bonds (distance) P-C4' energy: -61.216
flat angles C4'-P-C4' energy: -60.831
flat angles P-C4'-P energy: -52.849
tors. eta vs tors. theta energy: -37.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -472.112873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.112873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.112873 (E_RNA)
where:
Base-Base interactions energy: -230.682
where: short stacking energy: -118.307
Base-Backbone interact. energy: 1.560
local terms energy: -242.991333
where:
bonds (distance) C4'-P energy: -64.709
bonds (distance) P-C4' energy: -68.719
flat angles C4'-P-C4' energy: -65.924
flat angles P-C4'-P energy: -33.081
tors. eta vs tors. theta energy: -10.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -431.310880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.310880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.310880 (E_RNA)
where:
Base-Base interactions energy: -240.849
where: short stacking energy: -117.477
Base-Backbone interact. energy: -0.463
local terms energy: -189.999189
where:
bonds (distance) C4'-P energy: -49.108
bonds (distance) P-C4' energy: -58.861
flat angles C4'-P-C4' energy: -51.345
flat angles P-C4'-P energy: -31.443
tors. eta vs tors. theta energy: 0.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1309.570866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.570866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.570866 (E_RNA)
where:
Base-Base interactions energy: -902.041
where: short stacking energy: -393.159
Base-Backbone interact. energy: -0.718
local terms energy: -406.812098
where:
bonds (distance) C4'-P energy: -76.532
bonds (distance) P-C4' energy: -62.879
flat angles C4'-P-C4' energy: -83.040
flat angles P-C4'-P energy: -59.063
tors. eta vs tors. theta energy: -125.299
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: 1
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1248.583034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.583034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.583034 (E_RNA)
where:
Base-Base interactions energy: -841.709
where: short stacking energy: -362.691
Base-Backbone interact. energy: -1.734
local terms energy: -405.140741
where:
bonds (distance) C4'-P energy: -72.105
bonds (distance) P-C4' energy: -83.189
flat angles C4'-P-C4' energy: -85.772
flat angles P-C4'-P energy: -56.652
tors. eta vs tors. theta energy: -107.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1160.423618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.423618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.423618 (E_RNA)
where:
Base-Base interactions energy: -787.181
where: short stacking energy: -339.511
Base-Backbone interact. energy: -0.259
local terms energy: -372.983441
where:
bonds (distance) C4'-P energy: -66.935
bonds (distance) P-C4' energy: -68.886
flat angles C4'-P-C4' energy: -74.319
flat angles P-C4'-P energy: -51.711
tors. eta vs tors. theta energy: -111.132
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: 4, replica: 7
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1082.703185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.703185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.703185 (E_RNA)
where:
Base-Base interactions energy: -752.090
where: short stacking energy: -294.715
Base-Backbone interact. energy: -0.453
local terms energy: -330.160468
where:
bonds (distance) C4'-P energy: -53.748
bonds (distance) P-C4' energy: -74.336
flat angles C4'-P-C4' energy: -78.379
flat angles P-C4'-P energy: -47.998
tors. eta vs tors. theta energy: -75.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -993.922024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.922024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.922024 (E_RNA)
where:
Base-Base interactions energy: -663.687
where: short stacking energy: -300.530
Base-Backbone interact. energy: 0.379
local terms energy: -330.614629
where:
bonds (distance) C4'-P energy: -54.560
bonds (distance) P-C4' energy: -73.473
flat angles C4'-P-C4' energy: -69.224
flat angles P-C4'-P energy: -48.522
tors. eta vs tors. theta energy: -84.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -870.271127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.271127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.271127 (E_RNA)
where:
Base-Base interactions energy: -526.089
where: short stacking energy: -244.036
Base-Backbone interact. energy: -0.216
local terms energy: -343.966123
where:
bonds (distance) C4'-P energy: -73.093
bonds (distance) P-C4' energy: -76.197
flat angles C4'-P-C4' energy: -76.873
flat angles P-C4'-P energy: -46.059
tors. eta vs tors. theta energy: -71.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -840.738138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.738138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.738138 (E_RNA)
where:
Base-Base interactions energy: -512.735
where: short stacking energy: -241.104
Base-Backbone interact. energy: -1.729
local terms energy: -326.274054
where:
bonds (distance) C4'-P energy: -66.663
bonds (distance) P-C4' energy: -70.623
flat angles C4'-P-C4' energy: -73.636
flat angles P-C4'-P energy: -47.956
tors. eta vs tors. theta energy: -67.396
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: 8
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -585.083617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.083617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.083617 (E_RNA)
where:
Base-Base interactions energy: -318.984
where: short stacking energy: -174.392
Base-Backbone interact. energy: -1.057
local terms energy: -265.042758
where:
bonds (distance) C4'-P energy: -57.485
bonds (distance) P-C4' energy: -63.422
flat angles C4'-P-C4' energy: -67.095
flat angles P-C4'-P energy: -51.426
tors. eta vs tors. theta energy: -25.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -469.473705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.473705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.473705 (E_RNA)
where:
Base-Base interactions energy: -245.949
where: short stacking energy: -138.654
Base-Backbone interact. energy: 3.641
local terms energy: -227.166171
where:
bonds (distance) C4'-P energy: -72.860
bonds (distance) P-C4' energy: -68.315
flat angles C4'-P-C4' energy: -51.466
flat angles P-C4'-P energy: -28.367
tors. eta vs tors. theta energy: -6.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -446.062360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.062360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.062360 (E_RNA)
where:
Base-Base interactions energy: -239.848
where: short stacking energy: -128.157
Base-Backbone interact. energy: 1.004
local terms energy: -207.219086
where:
bonds (distance) C4'-P energy: -64.730
bonds (distance) P-C4' energy: -46.879
flat angles C4'-P-C4' energy: -63.619
flat angles P-C4'-P energy: -29.724
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: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1331.545685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.545685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.545685 (E_RNA)
where:
Base-Base interactions energy: -915.194
where: short stacking energy: -388.772
Base-Backbone interact. energy: -2.281
local terms energy: -414.070561
where:
bonds (distance) C4'-P energy: -79.260
bonds (distance) P-C4' energy: -81.660
flat angles C4'-P-C4' energy: -78.658
flat angles P-C4'-P energy: -58.456
tors. eta vs tors. theta energy: -116.037
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: 1
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1253.009150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.009150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.009150 (E_RNA)
where:
Base-Base interactions energy: -870.554
where: short stacking energy: -367.816
Base-Backbone interact. energy: -0.742
local terms energy: -381.713380
where:
bonds (distance) C4'-P energy: -60.991
bonds (distance) P-C4' energy: -67.396
flat angles C4'-P-C4' energy: -86.183
flat angles P-C4'-P energy: -53.643
tors. eta vs tors. theta energy: -113.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1155.614510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.614510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.614510 (E_RNA)
where:
Base-Base interactions energy: -790.213
where: short stacking energy: -352.987
Base-Backbone interact. energy: 0.207
local terms energy: -365.608341
where:
bonds (distance) C4'-P energy: -53.178
bonds (distance) P-C4' energy: -67.552
flat angles C4'-P-C4' energy: -78.998
flat angles P-C4'-P energy: -54.258
tors. eta vs tors. theta energy: -111.622
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: 4, replica: 7
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -1070.466858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.466858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.466858 (E_RNA)
where:
Base-Base interactions energy: -742.369
where: short stacking energy: -304.177
Base-Backbone interact. energy: -2.416
local terms energy: -325.682322
where:
bonds (distance) C4'-P energy: -64.288
bonds (distance) P-C4' energy: -62.125
flat angles C4'-P-C4' energy: -72.678
flat angles P-C4'-P energy: -54.150
tors. eta vs tors. theta energy: -72.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -982.333233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.333233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.333233 (E_RNA)
where:
Base-Base interactions energy: -656.269
where: short stacking energy: -298.516
Base-Backbone interact. energy: -3.465
local terms energy: -322.599152
where:
bonds (distance) C4'-P energy: -53.080
bonds (distance) P-C4' energy: -68.788
flat angles C4'-P-C4' energy: -71.922
flat angles P-C4'-P energy: -37.769
tors. eta vs tors. theta energy: -91.040
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: 5
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -883.468571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.468571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.468571 (E_RNA)
where:
Base-Base interactions energy: -576.592
where: short stacking energy: -263.906
Base-Backbone interact. energy: 1.655
local terms energy: -308.532523
where:
bonds (distance) C4'-P energy: -68.899
bonds (distance) P-C4' energy: -58.325
flat angles C4'-P-C4' energy: -66.988
flat angles P-C4'-P energy: -45.166
tors. eta vs tors. theta energy: -69.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -824.232667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.232667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.232667 (E_RNA)
where:
Base-Base interactions energy: -524.595
where: short stacking energy: -243.314
Base-Backbone interact. energy: 0.861
local terms energy: -300.498759
where:
bonds (distance) C4'-P energy: -58.339
bonds (distance) P-C4' energy: -73.070
flat angles C4'-P-C4' energy: -72.604
flat angles P-C4'-P energy: -48.546
tors. eta vs tors. theta energy: -47.940
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: 8
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -580.197372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.197372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.197372 (E_RNA)
where:
Base-Base interactions energy: -333.913
where: short stacking energy: -169.895
Base-Backbone interact. energy: -0.624
local terms energy: -245.659575
where:
bonds (distance) C4'-P energy: -55.667
bonds (distance) P-C4' energy: -65.233
flat angles C4'-P-C4' energy: -63.658
flat angles P-C4'-P energy: -36.679
tors. eta vs tors. theta energy: -24.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -484.143934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.143934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.143934 (E_RNA)
where:
Base-Base interactions energy: -251.108
where: short stacking energy: -143.695
Base-Backbone interact. energy: 0.764
local terms energy: -233.799648
where:
bonds (distance) C4'-P energy: -51.976
bonds (distance) P-C4' energy: -51.129
flat angles C4'-P-C4' energy: -61.771
flat angles P-C4'-P energy: -51.234
tors. eta vs tors. theta energy: -17.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -387.718979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.718979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.718979 (E_RNA)
where:
Base-Base interactions energy: -183.920
where: short stacking energy: -105.242
Base-Backbone interact. energy: 1.085
local terms energy: -204.884668
where:
bonds (distance) C4'-P energy: -55.401
bonds (distance) P-C4' energy: -63.269
flat angles C4'-P-C4' energy: -57.813
flat angles P-C4'-P energy: -34.763
tors. eta vs tors. theta energy: 6.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1315.947766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.947766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.947766 (E_RNA)
where:
Base-Base interactions energy: -912.465
where: short stacking energy: -400.319
Base-Backbone interact. energy: -0.801
local terms energy: -402.681893
where:
bonds (distance) C4'-P energy: -69.840
bonds (distance) P-C4' energy: -78.002
flat angles C4'-P-C4' energy: -84.178
flat angles P-C4'-P energy: -54.236
tors. eta vs tors. theta energy: -116.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1264.673507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.673507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.673507 (E_RNA)
where:
Base-Base interactions energy: -870.673
where: short stacking energy: -381.799
Base-Backbone interact. energy: -2.175
local terms energy: -391.826185
where:
bonds (distance) C4'-P energy: -65.212
bonds (distance) P-C4' energy: -72.830
flat angles C4'-P-C4' energy: -90.843
flat angles P-C4'-P energy: -40.585
tors. eta vs tors. theta energy: -122.356
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: 9
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1186.160450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.160450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.160450 (E_RNA)
where:
Base-Base interactions energy: -816.418
where: short stacking energy: -349.335
Base-Backbone interact. energy: -1.122
local terms energy: -368.620629
where:
bonds (distance) C4'-P energy: -54.628
bonds (distance) P-C4' energy: -74.129
flat angles C4'-P-C4' energy: -87.924
flat angles P-C4'-P energy: -51.674
tors. eta vs tors. theta energy: -100.265
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: 7
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1076.227596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.227596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.227596 (E_RNA)
where:
Base-Base interactions energy: -724.696
where: short stacking energy: -299.869
Base-Backbone interact. energy: -0.888
local terms energy: -350.643178
where:
bonds (distance) C4'-P energy: -75.534
bonds (distance) P-C4' energy: -71.475
flat angles C4'-P-C4' energy: -74.779
flat angles P-C4'-P energy: -39.031
tors. eta vs tors. theta energy: -89.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -998.816039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.816039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.816039 (E_RNA)
where:
Base-Base interactions energy: -654.308
where: short stacking energy: -299.479
Base-Backbone interact. energy: -1.067
local terms energy: -343.441163
where:
bonds (distance) C4'-P energy: -59.046
bonds (distance) P-C4' energy: -79.247
flat angles C4'-P-C4' energy: -74.900
flat angles P-C4'-P energy: -41.167
tors. eta vs tors. theta energy: -89.081
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: 6, replica: 5
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -851.453940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.453940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.453940 (E_RNA)
where:
Base-Base interactions energy: -562.438
where: short stacking energy: -244.615
Base-Backbone interact. energy: -1.636
local terms energy: -287.379852
where:
bonds (distance) C4'-P energy: -55.778
bonds (distance) P-C4' energy: -71.457
flat angles C4'-P-C4' energy: -70.011
flat angles P-C4'-P energy: -31.852
tors. eta vs tors. theta energy: -58.282
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: 401
Temperature: 1.200000
Total energy: -830.411718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.411718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.411718 (E_RNA)
where:
Base-Base interactions energy: -516.638
where: short stacking energy: -223.529
Base-Backbone interact. energy: 0.040
local terms energy: -313.814137
where:
bonds (distance) C4'-P energy: -68.944
bonds (distance) P-C4' energy: -62.961
flat angles C4'-P-C4' energy: -70.348
flat angles P-C4'-P energy: -51.963
tors. eta vs tors. theta energy: -59.598
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: 6
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -570.766943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.766943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.766943 (E_RNA)
where:
Base-Base interactions energy: -306.818
where: short stacking energy: -168.202
Base-Backbone interact. energy: -1.499
local terms energy: -262.449564
where:
bonds (distance) C4'-P energy: -63.408
bonds (distance) P-C4' energy: -66.276
flat angles C4'-P-C4' energy: -57.940
flat angles P-C4'-P energy: -38.106
tors. eta vs tors. theta energy: -36.720
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: 8
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -557.583449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.583449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.583449 (E_RNA)
where:
Base-Base interactions energy: -305.772
where: short stacking energy: -146.877
Base-Backbone interact. energy: -1.499
local terms energy: -250.311882
where:
bonds (distance) C4'-P energy: -56.144
bonds (distance) P-C4' energy: -66.740
flat angles C4'-P-C4' energy: -51.886
flat angles P-C4'-P energy: -50.504
tors. eta vs tors. theta energy: -25.038
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: 4
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -394.821881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.821881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.821881 (E_RNA)
where:
Base-Base interactions energy: -183.667
where: short stacking energy: -109.157
Base-Backbone interact. energy: -1.596
local terms energy: -209.558638
where:
bonds (distance) C4'-P energy: -44.382
bonds (distance) P-C4' energy: -64.082
flat angles C4'-P-C4' energy: -55.852
flat angles P-C4'-P energy: -46.017
tors. eta vs tors. theta energy: 0.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1319.504136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.504136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.504136 (E_RNA)
where:
Base-Base interactions energy: -902.239
where: short stacking energy: -371.595
Base-Backbone interact. energy: -0.050
local terms energy: -417.215566
where:
bonds (distance) C4'-P energy: -79.686
bonds (distance) P-C4' energy: -80.419
flat angles C4'-P-C4' energy: -85.922
flat angles P-C4'-P energy: -58.699
tors. eta vs tors. theta energy: -112.491
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: 1
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1217.343054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.343054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.343054 (E_RNA)
where:
Base-Base interactions energy: -854.053
where: short stacking energy: -363.440
Base-Backbone interact. energy: 0.206
local terms energy: -363.496556
where:
bonds (distance) C4'-P energy: -66.785
bonds (distance) P-C4' energy: -74.987
flat angles C4'-P-C4' energy: -69.760
flat angles P-C4'-P energy: -44.655
tors. eta vs tors. theta energy: -107.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -1183.044575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.044575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.044575 (E_RNA)
where:
Base-Base interactions energy: -810.497
where: short stacking energy: -338.798
Base-Backbone interact. energy: -2.622
local terms energy: -369.925666
where:
bonds (distance) C4'-P energy: -70.984
bonds (distance) P-C4' energy: -72.124
flat angles C4'-P-C4' energy: -72.313
flat angles P-C4'-P energy: -51.867
tors. eta vs tors. theta energy: -102.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1042.524807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.524807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.524807 (E_RNA)
where:
Base-Base interactions energy: -704.229
where: short stacking energy: -296.591
Base-Backbone interact. energy: -3.925
local terms energy: -334.370983
where:
bonds (distance) C4'-P energy: -65.382
bonds (distance) P-C4' energy: -68.009
flat angles C4'-P-C4' energy: -78.133
flat angles P-C4'-P energy: -49.818
tors. eta vs tors. theta energy: -73.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1001.127640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.127640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.127640 (E_RNA)
where:
Base-Base interactions energy: -665.051
where: short stacking energy: -312.345
Base-Backbone interact. energy: -1.104
local terms energy: -334.972121
where:
bonds (distance) C4'-P energy: -67.940
bonds (distance) P-C4' energy: -67.644
flat angles C4'-P-C4' energy: -76.339
flat angles P-C4'-P energy: -33.193
tors. eta vs tors. theta energy: -89.857
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: 5
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -886.930924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.930924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.930924 (E_RNA)
where:
Base-Base interactions energy: -568.626
where: short stacking energy: -248.229
Base-Backbone interact. energy: -0.824
local terms energy: -317.481799
where:
bonds (distance) C4'-P energy: -63.655
bonds (distance) P-C4' energy: -68.685
flat angles C4'-P-C4' energy: -67.982
flat angles P-C4'-P energy: -48.997
tors. eta vs tors. theta energy: -68.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -819.239016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.239016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.239016 (E_RNA)
where:
Base-Base interactions energy: -538.093
where: short stacking energy: -236.065
Base-Backbone interact. energy: 0.370
local terms energy: -281.516226
where:
bonds (distance) C4'-P energy: -55.731
bonds (distance) P-C4' energy: -68.297
flat angles C4'-P-C4' energy: -65.348
flat angles P-C4'-P energy: -43.734
tors. eta vs tors. theta energy: -48.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -560.872806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.872806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.872806 (E_RNA)
where:
Base-Base interactions energy: -323.070
where: short stacking energy: -164.841
Base-Backbone interact. energy: -2.740
local terms energy: -235.063034
where:
bonds (distance) C4'-P energy: -57.226
bonds (distance) P-C4' energy: -56.060
flat angles C4'-P-C4' energy: -62.888
flat angles P-C4'-P energy: -38.953
tors. eta vs tors. theta energy: -19.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -555.115702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.115702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.115702 (E_RNA)
where:
Base-Base interactions energy: -311.398
where: short stacking energy: -163.107
Base-Backbone interact. energy: -1.247
local terms energy: -242.470439
where:
bonds (distance) C4'-P energy: -70.862
bonds (distance) P-C4' energy: -62.748
flat angles C4'-P-C4' energy: -50.752
flat angles P-C4'-P energy: -42.424
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: 10, replica: 4
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -371.724563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.724563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.724563 (E_RNA)
where:
Base-Base interactions energy: -160.073
where: short stacking energy: -79.529
Base-Backbone interact. energy: -0.937
local terms energy: -210.715299
where:
bonds (distance) C4'-P energy: -62.001
bonds (distance) P-C4' energy: -73.652
flat angles C4'-P-C4' energy: -48.749
flat angles P-C4'-P energy: -40.279
tors. eta vs tors. theta energy: 13.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1316.319680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.319680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.319680 (E_RNA)
where:
Base-Base interactions energy: -911.552
where: short stacking energy: -386.649
Base-Backbone interact. energy: 0.320
local terms energy: -405.087011
where:
bonds (distance) C4'-P energy: -68.346
bonds (distance) P-C4' energy: -74.096
flat angles C4'-P-C4' energy: -84.079
flat angles P-C4'-P energy: -63.150
tors. eta vs tors. theta energy: -115.415
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: 1
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1238.733393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.733393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.733393 (E_RNA)
where:
Base-Base interactions energy: -839.350
where: short stacking energy: -362.555
Base-Backbone interact. energy: -2.828
local terms energy: -396.555567
where:
bonds (distance) C4'-P energy: -70.835
bonds (distance) P-C4' energy: -70.136
flat angles C4'-P-C4' energy: -84.116
flat angles P-C4'-P energy: -55.214
tors. eta vs tors. theta energy: -116.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -1188.680795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.680795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.680795 (E_RNA)
where:
Base-Base interactions energy: -795.662
where: short stacking energy: -353.843
Base-Backbone interact. energy: -0.373
local terms energy: -392.645334
where:
bonds (distance) C4'-P energy: -77.069
bonds (distance) P-C4' energy: -73.527
flat angles C4'-P-C4' energy: -84.948
flat angles P-C4'-P energy: -52.141
tors. eta vs tors. theta energy: -104.960
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: 7
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1046.647563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.647563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.647563 (E_RNA)
where:
Base-Base interactions energy: -705.174
where: short stacking energy: -302.248
Base-Backbone interact. energy: -1.049
local terms energy: -340.424589
where:
bonds (distance) C4'-P energy: -62.353
bonds (distance) P-C4' energy: -70.179
flat angles C4'-P-C4' energy: -78.847
flat angles P-C4'-P energy: -52.460
tors. eta vs tors. theta energy: -76.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -963.575841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.575841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.575841 (E_RNA)
where:
Base-Base interactions energy: -621.790
where: short stacking energy: -285.621
Base-Backbone interact. energy: -1.547
local terms energy: -340.238501
where:
bonds (distance) C4'-P energy: -72.561
bonds (distance) P-C4' energy: -70.201
flat angles C4'-P-C4' energy: -71.946
flat angles P-C4'-P energy: -45.589
tors. eta vs tors. theta energy: -79.941
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: 3
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -876.164749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.164749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.164749 (E_RNA)
where:
Base-Base interactions energy: -542.266
where: short stacking energy: -254.919
Base-Backbone interact. energy: -1.812
local terms energy: -332.086629
where:
bonds (distance) C4'-P energy: -60.700
bonds (distance) P-C4' energy: -74.909
flat angles C4'-P-C4' energy: -74.071
flat angles P-C4'-P energy: -53.944
tors. eta vs tors. theta energy: -68.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -854.608887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.608887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.608887 (E_RNA)
where:
Base-Base interactions energy: -564.011
where: short stacking energy: -245.898
Base-Backbone interact. energy: -0.460
local terms energy: -290.137971
where:
bonds (distance) C4'-P energy: -53.048
bonds (distance) P-C4' energy: -55.740
flat angles C4'-P-C4' energy: -68.398
flat angles P-C4'-P energy: -40.519
tors. eta vs tors. theta energy: -72.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -624.187169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.187169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.187169 (E_RNA)
where:
Base-Base interactions energy: -375.172
where: short stacking energy: -164.282
Base-Backbone interact. energy: -0.212
local terms energy: -248.803152
where:
bonds (distance) C4'-P energy: -65.075
bonds (distance) P-C4' energy: -68.188
flat angles C4'-P-C4' energy: -48.620
flat angles P-C4'-P energy: -36.890
tors. eta vs tors. theta energy: -30.031
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: 8
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -531.936212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.936212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.936212 (E_RNA)
where:
Base-Base interactions energy: -300.569
where: short stacking energy: -147.945
Base-Backbone interact. energy: -0.513
local terms energy: -230.854848
where:
bonds (distance) C4'-P energy: -61.202
bonds (distance) P-C4' energy: -61.847
flat angles C4'-P-C4' energy: -63.680
flat angles P-C4'-P energy: -34.387
tors. eta vs tors. theta energy: -9.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -432.721405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.721405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.721405 (E_RNA)
where:
Base-Base interactions energy: -231.169
where: short stacking energy: -124.246
Base-Backbone interact. energy: -0.958
local terms energy: -200.594337
where:
bonds (distance) C4'-P energy: -59.031
bonds (distance) P-C4' energy: -65.225
flat angles C4'-P-C4' energy: -41.272
flat angles P-C4'-P energy: -34.274
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: 1, replica: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1323.696869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.696869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.696869 (E_RNA)
where:
Base-Base interactions energy: -919.497
where: short stacking energy: -392.347
Base-Backbone interact. energy: -2.721
local terms energy: -401.478840
where:
bonds (distance) C4'-P energy: -68.490
bonds (distance) P-C4' energy: -74.466
flat angles C4'-P-C4' energy: -87.684
flat angles P-C4'-P energy: -47.759
tors. eta vs tors. theta energy: -123.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1258.532538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.532538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.532538 (E_RNA)
where:
Base-Base interactions energy: -862.363
where: short stacking energy: -365.005
Base-Backbone interact. energy: -3.791
local terms energy: -392.378839
where:
bonds (distance) C4'-P energy: -66.463
bonds (distance) P-C4' energy: -75.428
flat angles C4'-P-C4' energy: -85.996
flat angles P-C4'-P energy: -48.990
tors. eta vs tors. theta energy: -115.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -1194.411819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.411819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.411819 (E_RNA)
where:
Base-Base interactions energy: -817.996
where: short stacking energy: -349.116
Base-Backbone interact. energy: -0.574
local terms energy: -375.842274
where:
bonds (distance) C4'-P energy: -67.713
bonds (distance) P-C4' energy: -67.085
flat angles C4'-P-C4' energy: -73.998
flat angles P-C4'-P energy: -61.919
tors. eta vs tors. theta energy: -105.126
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: 7
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -1020.535898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.535898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.535898 (E_RNA)
where:
Base-Base interactions energy: -682.868
where: short stacking energy: -295.592
Base-Backbone interact. energy: -0.063
local terms energy: -337.604295
where:
bonds (distance) C4'-P energy: -65.697
bonds (distance) P-C4' energy: -65.855
flat angles C4'-P-C4' energy: -69.182
flat angles P-C4'-P energy: -58.793
tors. eta vs tors. theta energy: -78.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -999.960393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.960393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.960393 (E_RNA)
where:
Base-Base interactions energy: -660.159
where: short stacking energy: -308.958
Base-Backbone interact. energy: -0.666
local terms energy: -339.135168
where:
bonds (distance) C4'-P energy: -66.118
bonds (distance) P-C4' energy: -66.955
flat angles C4'-P-C4' energy: -69.731
flat angles P-C4'-P energy: -48.782
tors. eta vs tors. theta energy: -87.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -842.330094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.330094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.330094 (E_RNA)
where:
Base-Base interactions energy: -520.541
where: short stacking energy: -245.583
Base-Backbone interact. energy: -0.542
local terms energy: -321.247067
where:
bonds (distance) C4'-P energy: -68.174
bonds (distance) P-C4' energy: -69.676
flat angles C4'-P-C4' energy: -68.610
flat angles P-C4'-P energy: -49.746
tors. eta vs tors. theta energy: -65.041
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: 5
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -848.127148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.127148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.127148 (E_RNA)
where:
Base-Base interactions energy: -549.130
where: short stacking energy: -228.881
Base-Backbone interact. energy: -0.446
local terms energy: -298.551085
where:
bonds (distance) C4'-P energy: -75.543
bonds (distance) P-C4' energy: -63.826
flat angles C4'-P-C4' energy: -73.241
flat angles P-C4'-P energy: -36.391
tors. eta vs tors. theta energy: -49.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -609.993704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.993704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.993704 (E_RNA)
where:
Base-Base interactions energy: -355.499
where: short stacking energy: -177.644
Base-Backbone interact. energy: -0.082
local terms energy: -254.413186
where:
bonds (distance) C4'-P energy: -46.495
bonds (distance) P-C4' energy: -72.716
flat angles C4'-P-C4' energy: -67.720
flat angles P-C4'-P energy: -40.629
tors. eta vs tors. theta energy: -26.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -523.863487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.863487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.863487 (E_RNA)
where:
Base-Base interactions energy: -295.633
where: short stacking energy: -140.625
Base-Backbone interact. energy: 0.194
local terms energy: -228.424059
where:
bonds (distance) C4'-P energy: -50.139
bonds (distance) P-C4' energy: -74.045
flat angles C4'-P-C4' energy: -62.704
flat angles P-C4'-P energy: -32.693
tors. eta vs tors. theta energy: -8.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -471.262958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.262958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.262958 (E_RNA)
where:
Base-Base interactions energy: -246.332
where: short stacking energy: -138.732
Base-Backbone interact. energy: -0.377
local terms energy: -224.554434
where:
bonds (distance) C4'-P energy: -56.697
bonds (distance) P-C4' energy: -69.704
flat angles C4'-P-C4' energy: -48.852
flat angles P-C4'-P energy: -37.812
tors. eta vs tors. theta energy: -11.489
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: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1322.195374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.195374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.195374 (E_RNA)
where:
Base-Base interactions energy: -907.836
where: short stacking energy: -389.527
Base-Backbone interact. energy: -0.613
local terms energy: -413.746082
where:
bonds (distance) C4'-P energy: -84.643
bonds (distance) P-C4' energy: -65.936
flat angles C4'-P-C4' energy: -86.439
flat angles P-C4'-P energy: -57.875
tors. eta vs tors. theta energy: -118.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1231.185665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.185665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.185665 (E_RNA)
where:
Base-Base interactions energy: -830.430
where: short stacking energy: -357.985
Base-Backbone interact. energy: -5.039
local terms energy: -395.716489
where:
bonds (distance) C4'-P energy: -68.341
bonds (distance) P-C4' energy: -75.231
flat angles C4'-P-C4' energy: -82.330
flat angles P-C4'-P energy: -58.724
tors. eta vs tors. theta energy: -111.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1215.354382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.354382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.354382 (E_RNA)
where:
Base-Base interactions energy: -830.535
where: short stacking energy: -360.540
Base-Backbone interact. energy: 0.233
local terms energy: -385.053222
where:
bonds (distance) C4'-P energy: -66.936
bonds (distance) P-C4' energy: -73.926
flat angles C4'-P-C4' energy: -82.369
flat angles P-C4'-P energy: -51.388
tors. eta vs tors. theta energy: -110.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -1055.825373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.825373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.825373 (E_RNA)
where:
Base-Base interactions energy: -715.227
where: short stacking energy: -308.331
Base-Backbone interact. energy: -3.054
local terms energy: -337.544144
where:
bonds (distance) C4'-P energy: -69.372
bonds (distance) P-C4' energy: -71.473
flat angles C4'-P-C4' energy: -69.910
flat angles P-C4'-P energy: -51.774
tors. eta vs tors. theta energy: -75.015
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: 5, replica: 10
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -970.096853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.096853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.096853 (E_RNA)
where:
Base-Base interactions energy: -636.623
where: short stacking energy: -273.411
Base-Backbone interact. energy: -0.050
local terms energy: -333.423848
where:
bonds (distance) C4'-P energy: -83.285
bonds (distance) P-C4' energy: -62.999
flat angles C4'-P-C4' energy: -68.500
flat angles P-C4'-P energy: -42.376
tors. eta vs tors. theta energy: -76.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -899.002112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.002112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.002112 (E_RNA)
where:
Base-Base interactions energy: -575.589
where: short stacking energy: -252.937
Base-Backbone interact. energy: -1.132
local terms energy: -322.280974
where:
bonds (distance) C4'-P energy: -71.116
bonds (distance) P-C4' energy: -66.126
flat angles C4'-P-C4' energy: -80.211
flat angles P-C4'-P energy: -41.110
tors. eta vs tors. theta energy: -63.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -848.115294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.115294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.115294 (E_RNA)
where:
Base-Base interactions energy: -541.676
where: short stacking energy: -250.875
Base-Backbone interact. energy: -0.851
local terms energy: -305.588194
where:
bonds (distance) C4'-P energy: -56.665
bonds (distance) P-C4' energy: -71.093
flat angles C4'-P-C4' energy: -64.696
flat angles P-C4'-P energy: -44.745
tors. eta vs tors. theta energy: -68.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -580.165598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.165598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.165598 (E_RNA)
where:
Base-Base interactions energy: -307.444
where: short stacking energy: -153.493
Base-Backbone interact. energy: 0.421
local terms energy: -273.143008
where:
bonds (distance) C4'-P energy: -54.789
bonds (distance) P-C4' energy: -76.612
flat angles C4'-P-C4' energy: -67.832
flat angles P-C4'-P energy: -31.884
tors. eta vs tors. theta energy: -42.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -530.250995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.250995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.250995 (E_RNA)
where:
Base-Base interactions energy: -294.793
where: short stacking energy: -149.396
Base-Backbone interact. energy: 0.398
local terms energy: -235.856665
where:
bonds (distance) C4'-P energy: -50.841
bonds (distance) P-C4' energy: -60.918
flat angles C4'-P-C4' energy: -58.166
flat angles P-C4'-P energy: -37.247
tors. eta vs tors. theta energy: -28.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -440.806082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.806082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.806082 (E_RNA)
where:
Base-Base interactions energy: -220.919
where: short stacking energy: -117.959
Base-Backbone interact. energy: 0.155
local terms energy: -220.042451
where:
bonds (distance) C4'-P energy: -64.955
bonds (distance) P-C4' energy: -62.994
flat angles C4'-P-C4' energy: -27.104
flat angles P-C4'-P energy: -44.147
tors. eta vs tors. theta energy: -20.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1325.239804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.239804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.239804 (E_RNA)
where:
Base-Base interactions energy: -911.167
where: short stacking energy: -372.574
Base-Backbone interact. energy: -0.086
local terms energy: -413.986589
where:
bonds (distance) C4'-P energy: -65.940
bonds (distance) P-C4' energy: -81.683
flat angles C4'-P-C4' energy: -88.015
flat angles P-C4'-P energy: -62.509
tors. eta vs tors. theta energy: -115.839
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: 1
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1248.427412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.427412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.427412 (E_RNA)
where:
Base-Base interactions energy: -852.736
where: short stacking energy: -358.122
Base-Backbone interact. energy: -2.427
local terms energy: -393.264581
where:
bonds (distance) C4'-P energy: -64.499
bonds (distance) P-C4' energy: -65.278
flat angles C4'-P-C4' energy: -87.728
flat angles P-C4'-P energy: -63.921
tors. eta vs tors. theta energy: -111.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1183.645099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.645099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.645099 (E_RNA)
where:
Base-Base interactions energy: -799.548
where: short stacking energy: -343.598
Base-Backbone interact. energy: -1.018
local terms energy: -383.078913
where:
bonds (distance) C4'-P energy: -66.572
bonds (distance) P-C4' energy: -77.777
flat angles C4'-P-C4' energy: -83.681
flat angles P-C4'-P energy: -57.275
tors. eta vs tors. theta energy: -97.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -1034.460246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.460246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.460246 (E_RNA)
where:
Base-Base interactions energy: -681.423
where: short stacking energy: -278.811
Base-Backbone interact. energy: -2.477
local terms energy: -350.560324
where:
bonds (distance) C4'-P energy: -74.257
bonds (distance) P-C4' energy: -80.770
flat angles C4'-P-C4' energy: -75.383
flat angles P-C4'-P energy: -43.947
tors. eta vs tors. theta energy: -76.204
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: 5
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -895.693020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.693020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.693020 (E_RNA)
where:
Base-Base interactions energy: -571.341
where: short stacking energy: -240.308
Base-Backbone interact. energy: -0.437
local terms energy: -323.915005
where:
bonds (distance) C4'-P energy: -75.503
bonds (distance) P-C4' energy: -78.323
flat angles C4'-P-C4' energy: -71.056
flat angles P-C4'-P energy: -36.011
tors. eta vs tors. theta energy: -63.023
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: 6, replica: 10
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -932.470256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.470256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.470256 (E_RNA)
where:
Base-Base interactions energy: -610.625
where: short stacking energy: -263.986
Base-Backbone interact. energy: 1.029
local terms energy: -322.874545
where:
bonds (distance) C4'-P energy: -61.314
bonds (distance) P-C4' energy: -67.223
flat angles C4'-P-C4' energy: -70.070
flat angles P-C4'-P energy: -45.312
tors. eta vs tors. theta energy: -78.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -823.652012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.652012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.652012 (E_RNA)
where:
Base-Base interactions energy: -527.509
where: short stacking energy: -232.244
Base-Backbone interact. energy: -1.512
local terms energy: -294.631839
where:
bonds (distance) C4'-P energy: -58.399
bonds (distance) P-C4' energy: -66.165
flat angles C4'-P-C4' energy: -67.256
flat angles P-C4'-P energy: -42.231
tors. eta vs tors. theta energy: -60.581
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: 6
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -571.751253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.751253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.751253 (E_RNA)
where:
Base-Base interactions energy: -352.391
where: short stacking energy: -182.170
Base-Backbone interact. energy: 1.906
local terms energy: -221.266321
where:
bonds (distance) C4'-P energy: -64.104
bonds (distance) P-C4' energy: -48.036
flat angles C4'-P-C4' energy: -61.239
flat angles P-C4'-P energy: -26.092
tors. eta vs tors. theta energy: -21.795
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: 8
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -551.579296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.579296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.579296 (E_RNA)
where:
Base-Base interactions energy: -279.935
where: short stacking energy: -126.449
Base-Backbone interact. energy: 1.390
local terms energy: -273.034035
where:
bonds (distance) C4'-P energy: -61.773
bonds (distance) P-C4' energy: -67.130
flat angles C4'-P-C4' energy: -72.546
flat angles P-C4'-P energy: -38.532
tors. eta vs tors. theta energy: -33.053
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: 4
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -489.337535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.337535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.337535 (E_RNA)
where:
Base-Base interactions energy: -272.500
where: short stacking energy: -143.840
Base-Backbone interact. energy: -1.091
local terms energy: -215.745991
where:
bonds (distance) C4'-P energy: -53.247
bonds (distance) P-C4' energy: -62.830
flat angles C4'-P-C4' energy: -36.949
flat angles P-C4'-P energy: -38.225
tors. eta vs tors. theta energy: -24.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1317.614926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.614926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.614926 (E_RNA)
where:
Base-Base interactions energy: -911.814
where: short stacking energy: -397.088
Base-Backbone interact. energy: -1.041
local terms energy: -404.759354
where:
bonds (distance) C4'-P energy: -75.303
bonds (distance) P-C4' energy: -78.000
flat angles C4'-P-C4' energy: -81.310
flat angles P-C4'-P energy: -49.927
tors. eta vs tors. theta energy: -120.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1260.475924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.475924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.475924 (E_RNA)
where:
Base-Base interactions energy: -866.270
where: short stacking energy: -374.556
Base-Backbone interact. energy: -2.839
local terms energy: -391.367181
where:
bonds (distance) C4'-P energy: -75.616
bonds (distance) P-C4' energy: -74.000
flat angles C4'-P-C4' energy: -84.155
flat angles P-C4'-P energy: -43.712
tors. eta vs tors. theta energy: -113.884
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: 9
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1177.494526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.494526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.494526 (E_RNA)
where:
Base-Base interactions energy: -793.734
where: short stacking energy: -333.216
Base-Backbone interact. energy: -0.948
local terms energy: -382.812726
where:
bonds (distance) C4'-P energy: -76.230
bonds (distance) P-C4' energy: -77.901
flat angles C4'-P-C4' energy: -78.675
flat angles P-C4'-P energy: -52.617
tors. eta vs tors. theta energy: -97.390
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: 7
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1067.630429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.630429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.630429 (E_RNA)
where:
Base-Base interactions energy: -706.155
where: short stacking energy: -300.742
Base-Backbone interact. energy: -0.452
local terms energy: -361.023738
where:
bonds (distance) C4'-P energy: -73.887
bonds (distance) P-C4' energy: -79.076
flat angles C4'-P-C4' energy: -75.835
flat angles P-C4'-P energy: -49.448
tors. eta vs tors. theta energy: -82.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -910.282731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.282731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.282731 (E_RNA)
where:
Base-Base interactions energy: -616.373
where: short stacking energy: -255.958
Base-Backbone interact. energy: 0.394
local terms energy: -294.303385
where:
bonds (distance) C4'-P energy: -45.582
bonds (distance) P-C4' energy: -73.864
flat angles C4'-P-C4' energy: -70.985
flat angles P-C4'-P energy: -43.819
tors. eta vs tors. theta energy: -60.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -935.307589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.307589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.307589 (E_RNA)
where:
Base-Base interactions energy: -607.441
where: short stacking energy: -257.657
Base-Backbone interact. energy: -1.024
local terms energy: -326.842650
where:
bonds (distance) C4'-P energy: -65.886
bonds (distance) P-C4' energy: -73.388
flat angles C4'-P-C4' energy: -66.921
flat angles P-C4'-P energy: -46.093
tors. eta vs tors. theta energy: -74.555
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: 7, replica: 3
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -841.795560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.795560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.795560 (E_RNA)
where:
Base-Base interactions energy: -530.562
where: short stacking energy: -251.508
Base-Backbone interact. energy: -1.433
local terms energy: -309.800881
where:
bonds (distance) C4'-P energy: -61.099
bonds (distance) P-C4' energy: -58.305
flat angles C4'-P-C4' energy: -71.632
flat angles P-C4'-P energy: -50.952
tors. eta vs tors. theta energy: -67.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -596.479584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.479584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.479584 (E_RNA)
where:
Base-Base interactions energy: -349.473
where: short stacking energy: -170.531
Base-Backbone interact. energy: -1.477
local terms energy: -245.529990
where:
bonds (distance) C4'-P energy: -71.511
bonds (distance) P-C4' energy: -64.196
flat angles C4'-P-C4' energy: -52.455
flat angles P-C4'-P energy: -37.162
tors. eta vs tors. theta energy: -20.207
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: 6
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -573.978906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.978906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.978906 (E_RNA)
where:
Base-Base interactions energy: -323.784
where: short stacking energy: -153.812
Base-Backbone interact. energy: -0.032
local terms energy: -250.162612
where:
bonds (distance) C4'-P energy: -60.082
bonds (distance) P-C4' energy: -70.821
flat angles C4'-P-C4' energy: -57.922
flat angles P-C4'-P energy: -38.143
tors. eta vs tors. theta energy: -23.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -480.106879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.106879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.106879 (E_RNA)
where:
Base-Base interactions energy: -272.780
where: short stacking energy: -154.714
Base-Backbone interact. energy: -1.846
local terms energy: -205.480549
where:
bonds (distance) C4'-P energy: -60.436
bonds (distance) P-C4' energy: -55.513
flat angles C4'-P-C4' energy: -40.882
flat angles P-C4'-P energy: -39.272
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: 1, replica: 2
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1290.652389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.652389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.652389 (E_RNA)
where:
Base-Base interactions energy: -871.594
where: short stacking energy: -381.501
Base-Backbone interact. energy: -0.582
local terms energy: -418.476246
where:
bonds (distance) C4'-P energy: -80.728
bonds (distance) P-C4' energy: -78.537
flat angles C4'-P-C4' energy: -84.857
flat angles P-C4'-P energy: -55.203
tors. eta vs tors. theta energy: -119.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1255.061397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.061397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.061397 (E_RNA)
where:
Base-Base interactions energy: -861.191
where: short stacking energy: -371.108
Base-Backbone interact. energy: -1.935
local terms energy: -391.934762
where:
bonds (distance) C4'-P energy: -64.787
bonds (distance) P-C4' energy: -70.667
flat angles C4'-P-C4' energy: -82.839
flat angles P-C4'-P energy: -52.426
tors. eta vs tors. theta energy: -121.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1138.712516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.712516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.712516 (E_RNA)
where:
Base-Base interactions energy: -777.811
where: short stacking energy: -318.711
Base-Backbone interact. energy: -0.641
local terms energy: -360.259884
where:
bonds (distance) C4'-P energy: -75.797
bonds (distance) P-C4' energy: -71.640
flat angles C4'-P-C4' energy: -70.721
flat angles P-C4'-P energy: -41.364
tors. eta vs tors. theta energy: -100.737
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: 7
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -1051.040393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.040393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.040393 (E_RNA)
where:
Base-Base interactions energy: -716.842
where: short stacking energy: -306.938
Base-Backbone interact. energy: -2.119
local terms energy: -332.079494
where:
bonds (distance) C4'-P energy: -56.802
bonds (distance) P-C4' energy: -62.086
flat angles C4'-P-C4' energy: -79.889
flat angles P-C4'-P energy: -49.013
tors. eta vs tors. theta energy: -84.289
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: 10
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -948.133049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.133049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.133049 (E_RNA)
where:
Base-Base interactions energy: -622.107
where: short stacking energy: -292.000
Base-Backbone interact. energy: 1.257
local terms energy: -327.282893
where:
bonds (distance) C4'-P energy: -56.120
bonds (distance) P-C4' energy: -64.159
flat angles C4'-P-C4' energy: -77.765
flat angles P-C4'-P energy: -55.576
tors. eta vs tors. theta energy: -73.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -856.882952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.882952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.882952 (E_RNA)
where:
Base-Base interactions energy: -561.097
where: short stacking energy: -243.255
Base-Backbone interact. energy: -1.589
local terms energy: -294.197075
where:
bonds (distance) C4'-P energy: -70.549
bonds (distance) P-C4' energy: -59.482
flat angles C4'-P-C4' energy: -62.374
flat angles P-C4'-P energy: -48.461
tors. eta vs tors. theta energy: -53.331
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: 3
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -829.997894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.997894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.997894 (E_RNA)
where:
Base-Base interactions energy: -532.561
where: short stacking energy: -249.003
Base-Backbone interact. energy: -1.715
local terms energy: -295.721830
where:
bonds (distance) C4'-P energy: -70.405
bonds (distance) P-C4' energy: -68.999
flat angles C4'-P-C4' energy: -61.835
flat angles P-C4'-P energy: -37.608
tors. eta vs tors. theta energy: -56.875
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: 8
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -581.428450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.428450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.428450 (E_RNA)
where:
Base-Base interactions energy: -345.634
where: short stacking energy: -156.140
Base-Backbone interact. energy: 3.093
local terms energy: -238.887694
where:
bonds (distance) C4'-P energy: -67.082
bonds (distance) P-C4' energy: -62.599
flat angles C4'-P-C4' energy: -58.521
flat angles P-C4'-P energy: -29.115
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: 9, replica: 6
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -564.626036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.626036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.626036 (E_RNA)
where:
Base-Base interactions energy: -336.132
where: short stacking energy: -159.299
Base-Backbone interact. energy: 1.624
local terms energy: -230.117676
where:
bonds (distance) C4'-P energy: -58.675
bonds (distance) P-C4' energy: -52.865
flat angles C4'-P-C4' energy: -52.270
flat angles P-C4'-P energy: -39.672
tors. eta vs tors. theta energy: -26.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -451.250175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.250175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.250175 (E_RNA)
where:
Base-Base interactions energy: -258.352
where: short stacking energy: -134.603
Base-Backbone interact. energy: -1.062
local terms energy: -191.836533
where:
bonds (distance) C4'-P energy: -56.111
bonds (distance) P-C4' energy: -57.786
flat angles C4'-P-C4' energy: -44.353
flat angles P-C4'-P energy: -28.693
tors. eta vs tors. theta energy: -4.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1276.994786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.994786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.994786 (E_RNA)
where:
Base-Base interactions energy: -889.390
where: short stacking energy: -382.858
Base-Backbone interact. energy: -0.169
local terms energy: -387.435333
where:
bonds (distance) C4'-P energy: -65.779
bonds (distance) P-C4' energy: -70.816
flat angles C4'-P-C4' energy: -80.987
flat angles P-C4'-P energy: -56.875
tors. eta vs tors. theta energy: -112.977
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: 1
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1255.539921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.539921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.539921 (E_RNA)
where:
Base-Base interactions energy: -851.586
where: short stacking energy: -369.878
Base-Backbone interact. energy: -3.137
local terms energy: -400.817117
where:
bonds (distance) C4'-P energy: -68.394
bonds (distance) P-C4' energy: -68.937
flat angles C4'-P-C4' energy: -88.742
flat angles P-C4'-P energy: -60.090
tors. eta vs tors. theta energy: -114.654
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: 9
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -1153.679695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.679695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.679695 (E_RNA)
where:
Base-Base interactions energy: -796.928
where: short stacking energy: -342.921
Base-Backbone interact. energy: -0.954
local terms energy: -355.797707
where:
bonds (distance) C4'-P energy: -65.936
bonds (distance) P-C4' energy: -61.313
flat angles C4'-P-C4' energy: -76.185
flat angles P-C4'-P energy: -57.348
tors. eta vs tors. theta energy: -95.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1057.711279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.711279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.711279 (E_RNA)
where:
Base-Base interactions energy: -697.765
where: short stacking energy: -293.597
Base-Backbone interact. energy: 0.537
local terms energy: -360.482794
where:
bonds (distance) C4'-P energy: -72.670
bonds (distance) P-C4' energy: -76.266
flat angles C4'-P-C4' energy: -69.316
flat angles P-C4'-P energy: -55.619
tors. eta vs tors. theta energy: -86.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -940.995631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.995631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.995631 (E_RNA)
where:
Base-Base interactions energy: -618.630
where: short stacking energy: -277.332
Base-Backbone interact. energy: -0.189
local terms energy: -322.176978
where:
bonds (distance) C4'-P energy: -75.257
bonds (distance) P-C4' energy: -58.828
flat angles C4'-P-C4' energy: -75.212
flat angles P-C4'-P energy: -37.585
tors. eta vs tors. theta energy: -75.295
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: 5
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -892.710149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.710149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.710149 (E_RNA)
where:
Base-Base interactions energy: -573.537
where: short stacking energy: -242.018
Base-Backbone interact. energy: -0.399
local terms energy: -318.774338
where:
bonds (distance) C4'-P energy: -68.378
bonds (distance) P-C4' energy: -63.097
flat angles C4'-P-C4' energy: -77.970
flat angles P-C4'-P energy: -43.859
tors. eta vs tors. theta energy: -65.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -811.393713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.393713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.393713 (E_RNA)
where:
Base-Base interactions energy: -543.245
where: short stacking energy: -244.608
Base-Backbone interact. energy: -1.033
local terms energy: -267.114936
where:
bonds (distance) C4'-P energy: -45.048
bonds (distance) P-C4' energy: -59.895
flat angles C4'-P-C4' energy: -76.713
flat angles P-C4'-P energy: -32.780
tors. eta vs tors. theta energy: -52.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -541.291481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.291481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.291481 (E_RNA)
where:
Base-Base interactions energy: -296.015
where: short stacking energy: -136.766
Base-Backbone interact. energy: -0.768
local terms energy: -244.508021
where:
bonds (distance) C4'-P energy: -72.223
bonds (distance) P-C4' energy: -62.980
flat angles C4'-P-C4' energy: -62.802
flat angles P-C4'-P energy: -40.193
tors. eta vs tors. theta energy: -6.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -579.325627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.325627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.325627 (E_RNA)
where:
Base-Base interactions energy: -328.268
where: short stacking energy: -153.568
Base-Backbone interact. energy: 3.292
local terms energy: -254.349416
where:
bonds (distance) C4'-P energy: -70.665
bonds (distance) P-C4' energy: -59.560
flat angles C4'-P-C4' energy: -70.461
flat angles P-C4'-P energy: -32.843
tors. eta vs tors. theta energy: -20.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -466.331172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.331172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.331172 (E_RNA)
where:
Base-Base interactions energy: -251.521
where: short stacking energy: -138.810
Base-Backbone interact. energy: -2.396
local terms energy: -212.414712
where:
bonds (distance) C4'-P energy: -48.950
bonds (distance) P-C4' energy: -51.822
flat angles C4'-P-C4' energy: -55.953
flat angles P-C4'-P energy: -36.116
tors. eta vs tors. theta energy: -19.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1305.894501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.894501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.894501 (E_RNA)
where:
Base-Base interactions energy: -892.110
where: short stacking energy: -369.819
Base-Backbone interact. energy: -2.724
local terms energy: -411.060652
where:
bonds (distance) C4'-P energy: -78.944
bonds (distance) P-C4' energy: -85.404
flat angles C4'-P-C4' energy: -85.569
flat angles P-C4'-P energy: -46.763
tors. eta vs tors. theta energy: -114.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1263.655251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.655251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.655251 (E_RNA)
where:
Base-Base interactions energy: -867.239
where: short stacking energy: -365.835
Base-Backbone interact. energy: -3.398
local terms energy: -393.018612
where:
bonds (distance) C4'-P energy: -64.288
bonds (distance) P-C4' energy: -76.690
flat angles C4'-P-C4' energy: -85.276
flat angles P-C4'-P energy: -49.628
tors. eta vs tors. theta energy: -117.136
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: 9
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1178.115958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.115958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.115958 (E_RNA)
where:
Base-Base interactions energy: -784.994
where: short stacking energy: -340.389
Base-Backbone interact. energy: -0.620
local terms energy: -392.501770
where:
bonds (distance) C4'-P energy: -64.401
bonds (distance) P-C4' energy: -78.267
flat angles C4'-P-C4' energy: -76.147
flat angles P-C4'-P energy: -65.777
tors. eta vs tors. theta energy: -107.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -1039.621397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.621397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.621397 (E_RNA)
where:
Base-Base interactions energy: -696.814
where: short stacking energy: -308.148
Base-Backbone interact. energy: 0.200
local terms energy: -343.007942
where:
bonds (distance) C4'-P energy: -69.108
bonds (distance) P-C4' energy: -64.890
flat angles C4'-P-C4' energy: -75.552
flat angles P-C4'-P energy: -48.626
tors. eta vs tors. theta energy: -84.831
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: 10
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -962.841611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.841611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.841611 (E_RNA)
where:
Base-Base interactions energy: -618.246
where: short stacking energy: -277.014
Base-Backbone interact. energy: -2.364
local terms energy: -342.231781
where:
bonds (distance) C4'-P energy: -63.632
bonds (distance) P-C4' energy: -74.992
flat angles C4'-P-C4' energy: -78.078
flat angles P-C4'-P energy: -43.239
tors. eta vs tors. theta energy: -82.291
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: 5
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -850.555878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.555878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.555878 (E_RNA)
where:
Base-Base interactions energy: -550.001
where: short stacking energy: -235.185
Base-Backbone interact. energy: -1.925
local terms energy: -298.629415
where:
bonds (distance) C4'-P energy: -56.558
bonds (distance) P-C4' energy: -63.580
flat angles C4'-P-C4' energy: -78.447
flat angles P-C4'-P energy: -34.821
tors. eta vs tors. theta energy: -65.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -836.050918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.050918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.050918 (E_RNA)
where:
Base-Base interactions energy: -546.596
where: short stacking energy: -247.230
Base-Backbone interact. energy: -0.568
local terms energy: -288.886398
where:
bonds (distance) C4'-P energy: -53.340
bonds (distance) P-C4' energy: -55.813
flat angles C4'-P-C4' energy: -72.251
flat angles P-C4'-P energy: -44.281
tors. eta vs tors. theta energy: -63.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -562.584585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.584585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.584585 (E_RNA)
where:
Base-Base interactions energy: -321.924
where: short stacking energy: -155.602
Base-Backbone interact. energy: 0.694
local terms energy: -241.354553
where:
bonds (distance) C4'-P energy: -68.357
bonds (distance) P-C4' energy: -52.568
flat angles C4'-P-C4' energy: -61.701
flat angles P-C4'-P energy: -34.737
tors. eta vs tors. theta energy: -23.992
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: 9, replica: 4
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -539.298635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.298635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.298635 (E_RNA)
where:
Base-Base interactions energy: -286.598
where: short stacking energy: -139.391
Base-Backbone interact. energy: -2.189
local terms energy: -250.511257
where:
bonds (distance) C4'-P energy: -56.428
bonds (distance) P-C4' energy: -66.184
flat angles C4'-P-C4' energy: -63.574
flat angles P-C4'-P energy: -42.490
tors. eta vs tors. theta energy: -21.835
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: 8
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -529.275358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.275358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.275358 (E_RNA)
where:
Base-Base interactions energy: -275.650
where: short stacking energy: -144.030
Base-Backbone interact. energy: -0.342
local terms energy: -253.283520
where:
bonds (distance) C4'-P energy: -65.673
bonds (distance) P-C4' energy: -57.655
flat angles C4'-P-C4' energy: -65.395
flat angles P-C4'-P energy: -44.272
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: 1, replica: 2
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1306.703737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.703737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.703737 (E_RNA)
where:
Base-Base interactions energy: -878.014
where: short stacking energy: -376.008
Base-Backbone interact. energy: 0.253
local terms energy: -428.943192
where:
bonds (distance) C4'-P energy: -83.151
bonds (distance) P-C4' energy: -86.156
flat angles C4'-P-C4' energy: -83.161
flat angles P-C4'-P energy: -56.047
tors. eta vs tors. theta energy: -120.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1232.149235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.149235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.149235 (E_RNA)
where:
Base-Base interactions energy: -853.420
where: short stacking energy: -356.358
Base-Backbone interact. energy: -4.376
local terms energy: -374.353480
where:
bonds (distance) C4'-P energy: -65.388
bonds (distance) P-C4' energy: -61.485
flat angles C4'-P-C4' energy: -79.617
flat angles P-C4'-P energy: -60.689
tors. eta vs tors. theta energy: -107.174
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: 9
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1170.286407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.286407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.286407 (E_RNA)
where:
Base-Base interactions energy: -784.809
where: short stacking energy: -355.729
Base-Backbone interact. energy: -2.028
local terms energy: -383.449526
where:
bonds (distance) C4'-P energy: -73.281
bonds (distance) P-C4' energy: -66.943
flat angles C4'-P-C4' energy: -83.432
flat angles P-C4'-P energy: -48.825
tors. eta vs tors. theta energy: -110.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -1034.656140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.656140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.656140 (E_RNA)
where:
Base-Base interactions energy: -704.236
where: short stacking energy: -290.738
Base-Backbone interact. energy: -1.156
local terms energy: -329.263992
where:
bonds (distance) C4'-P energy: -63.434
bonds (distance) P-C4' energy: -71.645
flat angles C4'-P-C4' energy: -76.023
flat angles P-C4'-P energy: -47.274
tors. eta vs tors. theta energy: -70.888
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: 10
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -987.013635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.013635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.013635 (E_RNA)
where:
Base-Base interactions energy: -632.290
where: short stacking energy: -285.602
Base-Backbone interact. energy: -1.165
local terms energy: -353.557806
where:
bonds (distance) C4'-P energy: -64.408
bonds (distance) P-C4' energy: -77.315
flat angles C4'-P-C4' energy: -74.225
flat angles P-C4'-P energy: -54.673
tors. eta vs tors. theta energy: -82.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -868.013428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.013428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.013428 (E_RNA)
where:
Base-Base interactions energy: -570.949
where: short stacking energy: -240.554
Base-Backbone interact. energy: -1.817
local terms energy: -295.246836
where:
bonds (distance) C4'-P energy: -55.760
bonds (distance) P-C4' energy: -68.516
flat angles C4'-P-C4' energy: -77.736
flat angles P-C4'-P energy: -35.199
tors. eta vs tors. theta energy: -58.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -810.115652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.115652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.115652 (E_RNA)
where:
Base-Base interactions energy: -531.902
where: short stacking energy: -239.054
Base-Backbone interact. energy: -1.513
local terms energy: -276.700623
where:
bonds (distance) C4'-P energy: -50.837
bonds (distance) P-C4' energy: -55.171
flat angles C4'-P-C4' energy: -65.170
flat angles P-C4'-P energy: -45.932
tors. eta vs tors. theta energy: -59.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -514.168771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.168771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.168771 (E_RNA)
where:
Base-Base interactions energy: -261.866
where: short stacking energy: -147.390
Base-Backbone interact. energy: -0.642
local terms energy: -251.660969
where:
bonds (distance) C4'-P energy: -59.466
bonds (distance) P-C4' energy: -66.212
flat angles C4'-P-C4' energy: -64.065
flat angles P-C4'-P energy: -42.514
tors. eta vs tors. theta energy: -19.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -481.674084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.674084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.674084 (E_RNA)
where:
Base-Base interactions energy: -236.679
where: short stacking energy: -134.552
Base-Backbone interact. energy: 0.397
local terms energy: -245.391569
where:
bonds (distance) C4'-P energy: -77.696
bonds (distance) P-C4' energy: -67.825
flat angles C4'-P-C4' energy: -61.248
flat angles P-C4'-P energy: -34.418
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: 10, replica: 8
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -492.792647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.792647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.792647 (E_RNA)
where:
Base-Base interactions energy: -258.274
where: short stacking energy: -122.604
Base-Backbone interact. energy: -0.013
local terms energy: -234.505357
where:
bonds (distance) C4'-P energy: -58.275
bonds (distance) P-C4' energy: -71.302
flat angles C4'-P-C4' energy: -59.859
flat angles P-C4'-P energy: -31.288
tors. eta vs tors. theta energy: -13.782
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: 412
Temperature: 0.900000
Total energy: -1318.291986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.291986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.291986 (E_RNA)
where:
Base-Base interactions energy: -896.499
where: short stacking energy: -391.211
Base-Backbone interact. energy: -0.633
local terms energy: -421.160831
where:
bonds (distance) C4'-P energy: -68.917
bonds (distance) P-C4' energy: -88.738
flat angles C4'-P-C4' energy: -88.535
flat angles P-C4'-P energy: -57.411
tors. eta vs tors. theta energy: -117.560
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: 1
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1248.247137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.247137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.247137 (E_RNA)
where:
Base-Base interactions energy: -831.334
where: short stacking energy: -347.785
Base-Backbone interact. energy: -2.357
local terms energy: -414.556711
where:
bonds (distance) C4'-P energy: -79.758
bonds (distance) P-C4' energy: -72.320
flat angles C4'-P-C4' energy: -90.837
flat angles P-C4'-P energy: -56.029
tors. eta vs tors. theta energy: -115.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -1173.547283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.547283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.547283 (E_RNA)
where:
Base-Base interactions energy: -791.828
where: short stacking energy: -349.517
Base-Backbone interact. energy: -1.972
local terms energy: -379.747832
where:
bonds (distance) C4'-P energy: -70.285
bonds (distance) P-C4' energy: -69.427
flat angles C4'-P-C4' energy: -85.130
flat angles P-C4'-P energy: -48.311
tors. eta vs tors. theta energy: -106.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -1008.399251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.399251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.399251 (E_RNA)
where:
Base-Base interactions energy: -672.641
where: short stacking energy: -280.484
Base-Backbone interact. energy: -1.577
local terms energy: -334.180860
where:
bonds (distance) C4'-P energy: -71.160
bonds (distance) P-C4' energy: -63.324
flat angles C4'-P-C4' energy: -78.087
flat angles P-C4'-P energy: -42.879
tors. eta vs tors. theta energy: -78.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -936.626205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.626205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.626205 (E_RNA)
where:
Base-Base interactions energy: -605.288
where: short stacking energy: -264.165
Base-Backbone interact. energy: -0.677
local terms energy: -330.661651
where:
bonds (distance) C4'-P energy: -68.424
bonds (distance) P-C4' energy: -71.585
flat angles C4'-P-C4' energy: -76.567
flat angles P-C4'-P energy: -41.653
tors. eta vs tors. theta energy: -72.432
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: 412
Temperature: 1.150000
Total energy: -927.622185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.622185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.622185 (E_RNA)
where:
Base-Base interactions energy: -610.049
where: short stacking energy: -282.925
Base-Backbone interact. energy: 2.115
local terms energy: -319.688159
where:
bonds (distance) C4'-P energy: -62.093
bonds (distance) P-C4' energy: -70.699
flat angles C4'-P-C4' energy: -62.621
flat angles P-C4'-P energy: -43.717
tors. eta vs tors. theta energy: -80.557
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: 412
Temperature: 1.200000
Total energy: -825.899451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.899451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.899451 (E_RNA)
where:
Base-Base interactions energy: -509.892
where: short stacking energy: -222.811
Base-Backbone interact. energy: -3.530
local terms energy: -312.477551
where:
bonds (distance) C4'-P energy: -63.526
bonds (distance) P-C4' energy: -62.737
flat angles C4'-P-C4' energy: -71.593
flat angles P-C4'-P energy: -53.227
tors. eta vs tors. theta energy: -61.393
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: 8, replica: 4
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -528.820354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.820354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.820354 (E_RNA)
where:
Base-Base interactions energy: -298.203
where: short stacking energy: -158.778
Base-Backbone interact. energy: -2.064
local terms energy: -228.552712
where:
bonds (distance) C4'-P energy: -54.897
bonds (distance) P-C4' energy: -56.936
flat angles C4'-P-C4' energy: -68.010
flat angles P-C4'-P energy: -32.050
tors. eta vs tors. theta energy: -16.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -490.698191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.698191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.698191 (E_RNA)
where:
Base-Base interactions energy: -278.382
where: short stacking energy: -147.203
Base-Backbone interact. energy: -0.481
local terms energy: -211.834862
where:
bonds (distance) C4'-P energy: -61.934
bonds (distance) P-C4' energy: -62.280
flat angles C4'-P-C4' energy: -45.025
flat angles P-C4'-P energy: -38.344
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: 10, replica: 8
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -437.486333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.486333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.486333 (E_RNA)
where:
Base-Base interactions energy: -238.712
where: short stacking energy: -139.095
Base-Backbone interact. energy: -1.350
local terms energy: -197.424100
where:
bonds (distance) C4'-P energy: -46.206
bonds (distance) P-C4' energy: -63.709
flat angles C4'-P-C4' energy: -42.499
flat angles P-C4'-P energy: -34.751
tors. eta vs tors. theta energy: -10.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1340.696510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.696510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.696510 (E_RNA)
where:
Base-Base interactions energy: -925.187
where: short stacking energy: -399.089
Base-Backbone interact. energy: -0.512
local terms energy: -414.997753
where:
bonds (distance) C4'-P energy: -72.346
bonds (distance) P-C4' energy: -76.318
flat angles C4'-P-C4' energy: -83.436
flat angles P-C4'-P energy: -55.947
tors. eta vs tors. theta energy: -126.951
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: 1
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1233.371854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.371854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.371854 (E_RNA)
where:
Base-Base interactions energy: -835.816
where: short stacking energy: -354.794
Base-Backbone interact. energy: -3.215
local terms energy: -394.340202
where:
bonds (distance) C4'-P energy: -68.251
bonds (distance) P-C4' energy: -81.872
flat angles C4'-P-C4' energy: -76.734
flat angles P-C4'-P energy: -56.017
tors. eta vs tors. theta energy: -111.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1156.050942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.050942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.050942 (E_RNA)
where:
Base-Base interactions energy: -780.494
where: short stacking energy: -337.764
Base-Backbone interact. energy: -1.117
local terms energy: -374.440240
where:
bonds (distance) C4'-P energy: -73.058
bonds (distance) P-C4' energy: -69.467
flat angles C4'-P-C4' energy: -76.600
flat angles P-C4'-P energy: -57.132
tors. eta vs tors. theta energy: -98.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1023.122931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.122931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.122931 (E_RNA)
where:
Base-Base interactions energy: -694.305
where: short stacking energy: -291.598
Base-Backbone interact. energy: 2.155
local terms energy: -330.973502
where:
bonds (distance) C4'-P energy: -50.353
bonds (distance) P-C4' energy: -70.740
flat angles C4'-P-C4' energy: -77.732
flat angles P-C4'-P energy: -47.845
tors. eta vs tors. theta energy: -84.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -945.613292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.613292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.613292 (E_RNA)
where:
Base-Base interactions energy: -612.739
where: short stacking energy: -277.690
Base-Backbone interact. energy: -0.772
local terms energy: -332.102039
where:
bonds (distance) C4'-P energy: -60.445
bonds (distance) P-C4' energy: -70.853
flat angles C4'-P-C4' energy: -70.627
flat angles P-C4'-P energy: -49.566
tors. eta vs tors. theta energy: -80.612
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: 3
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -839.867886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.867886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.867886 (E_RNA)
where:
Base-Base interactions energy: -540.029
where: short stacking energy: -239.926
Base-Backbone interact. energy: -0.938
local terms energy: -298.900909
where:
bonds (distance) C4'-P energy: -54.165
bonds (distance) P-C4' energy: -63.189
flat angles C4'-P-C4' energy: -69.118
flat angles P-C4'-P energy: -45.871
tors. eta vs tors. theta energy: -66.558
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: 5
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -844.204986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.204986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.204986 (E_RNA)
where:
Base-Base interactions energy: -537.734
where: short stacking energy: -262.736
Base-Backbone interact. energy: -1.747
local terms energy: -304.724080
where:
bonds (distance) C4'-P energy: -70.999
bonds (distance) P-C4' energy: -65.591
flat angles C4'-P-C4' energy: -74.691
flat angles P-C4'-P energy: -24.237
tors. eta vs tors. theta energy: -69.206
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: 6
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -489.582581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.582581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.582581 (E_RNA)
where:
Base-Base interactions energy: -242.792
where: short stacking energy: -148.375
Base-Backbone interact. energy: -1.048
local terms energy: -245.742290
where:
bonds (distance) C4'-P energy: -70.740
bonds (distance) P-C4' energy: -83.868
flat angles C4'-P-C4' energy: -54.449
flat angles P-C4'-P energy: -23.359
tors. eta vs tors. theta energy: -13.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -459.940233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.940233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.940233 (E_RNA)
where:
Base-Base interactions energy: -227.940
where: short stacking energy: -118.986
Base-Backbone interact. energy: 2.315
local terms energy: -234.315830
where:
bonds (distance) C4'-P energy: -57.255
bonds (distance) P-C4' energy: -75.371
flat angles C4'-P-C4' energy: -58.690
flat angles P-C4'-P energy: -32.037
tors. eta vs tors. theta energy: -10.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -435.251536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.251536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.251536 (E_RNA)
where:
Base-Base interactions energy: -227.617
where: short stacking energy: -102.902
Base-Backbone interact. energy: -2.303
local terms energy: -205.332166
where:
bonds (distance) C4'-P energy: -59.654
bonds (distance) P-C4' energy: -76.541
flat angles C4'-P-C4' energy: -44.964
flat angles P-C4'-P energy: -26.378
tors. eta vs tors. theta energy: 2.205
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: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1320.183157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.183157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.183157 (E_RNA)
where:
Base-Base interactions energy: -913.232
where: short stacking energy: -382.145
Base-Backbone interact. energy: -1.165
local terms energy: -405.785800
where:
bonds (distance) C4'-P energy: -73.484
bonds (distance) P-C4' energy: -74.865
flat angles C4'-P-C4' energy: -91.057
flat angles P-C4'-P energy: -51.597
tors. eta vs tors. theta energy: -114.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1230.159976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.159976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.159976 (E_RNA)
where:
Base-Base interactions energy: -839.513
where: short stacking energy: -364.170
Base-Backbone interact. energy: -1.842
local terms energy: -388.805376
where:
bonds (distance) C4'-P energy: -71.751
bonds (distance) P-C4' energy: -67.755
flat angles C4'-P-C4' energy: -80.813
flat angles P-C4'-P energy: -51.590
tors. eta vs tors. theta energy: -116.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1184.848622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.848622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.848622 (E_RNA)
where:
Base-Base interactions energy: -800.832
where: short stacking energy: -361.000
Base-Backbone interact. energy: -0.645
local terms energy: -383.371703
where:
bonds (distance) C4'-P energy: -71.994
bonds (distance) P-C4' energy: -83.990
flat angles C4'-P-C4' energy: -84.799
flat angles P-C4'-P energy: -40.139
tors. eta vs tors. theta energy: -102.450
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: 7
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -1031.581434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.581434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.581434 (E_RNA)
where:
Base-Base interactions energy: -681.109
where: short stacking energy: -295.398
Base-Backbone interact. energy: -3.043
local terms energy: -347.429362
where:
bonds (distance) C4'-P energy: -75.006
bonds (distance) P-C4' energy: -57.240
flat angles C4'-P-C4' energy: -72.262
flat angles P-C4'-P energy: -53.180
tors. eta vs tors. theta energy: -89.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -960.351517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.351517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.351517 (E_RNA)
where:
Base-Base interactions energy: -624.992
where: short stacking energy: -302.996
Base-Backbone interact. energy: -2.850
local terms energy: -332.509677
where:
bonds (distance) C4'-P energy: -55.380
bonds (distance) P-C4' energy: -74.562
flat angles C4'-P-C4' energy: -79.614
flat angles P-C4'-P energy: -42.841
tors. eta vs tors. theta energy: -80.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -865.286543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.286543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.286543 (E_RNA)
where:
Base-Base interactions energy: -553.805
where: short stacking energy: -241.311
Base-Backbone interact. energy: -1.694
local terms energy: -309.787231
where:
bonds (distance) C4'-P energy: -53.228
bonds (distance) P-C4' energy: -72.731
flat angles C4'-P-C4' energy: -75.658
flat angles P-C4'-P energy: -49.791
tors. eta vs tors. theta energy: -58.380
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: 5
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -869.067609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.067609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.067609 (E_RNA)
where:
Base-Base interactions energy: -563.931
where: short stacking energy: -243.291
Base-Backbone interact. energy: 3.256
local terms energy: -308.392408
where:
bonds (distance) C4'-P energy: -60.803
bonds (distance) P-C4' energy: -60.067
flat angles C4'-P-C4' energy: -72.385
flat angles P-C4'-P energy: -45.057
tors. eta vs tors. theta energy: -70.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -480.725993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.725993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.725993 (E_RNA)
where:
Base-Base interactions energy: -253.001
where: short stacking energy: -142.966
Base-Backbone interact. energy: -1.578
local terms energy: -226.147436
where:
bonds (distance) C4'-P energy: -55.174
bonds (distance) P-C4' energy: -63.146
flat angles C4'-P-C4' energy: -51.049
flat angles P-C4'-P energy: -30.055
tors. eta vs tors. theta energy: -26.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -478.332182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.332182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.332182 (E_RNA)
where:
Base-Base interactions energy: -269.402
where: short stacking energy: -116.555
Base-Backbone interact. energy: 0.823
local terms energy: -209.753449
where:
bonds (distance) C4'-P energy: -70.626
bonds (distance) P-C4' energy: -62.742
flat angles C4'-P-C4' energy: -42.973
flat angles P-C4'-P energy: -36.138
tors. eta vs tors. theta energy: 2.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -446.033017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.033017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.033017 (E_RNA)
where:
Base-Base interactions energy: -251.279
where: short stacking energy: -128.021
Base-Backbone interact. energy: 0.418
local terms energy: -195.172688
where:
bonds (distance) C4'-P energy: -56.291
bonds (distance) P-C4' energy: -48.721
flat angles C4'-P-C4' energy: -54.049
flat angles P-C4'-P energy: -30.774
tors. eta vs tors. theta energy: -5.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1306.917068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.917068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.917068 (E_RNA)
where:
Base-Base interactions energy: -902.028
where: short stacking energy: -374.975
Base-Backbone interact. energy: -2.180
local terms energy: -402.708598
where:
bonds (distance) C4'-P energy: -77.008
bonds (distance) P-C4' energy: -71.261
flat angles C4'-P-C4' energy: -79.878
flat angles P-C4'-P energy: -60.620
tors. eta vs tors. theta energy: -113.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1237.786473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.786473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.786473 (E_RNA)
where:
Base-Base interactions energy: -828.146
where: short stacking energy: -358.415
Base-Backbone interact. energy: -1.397
local terms energy: -408.243161
where:
bonds (distance) C4'-P energy: -64.507
bonds (distance) P-C4' energy: -74.015
flat angles C4'-P-C4' energy: -91.756
flat angles P-C4'-P energy: -60.432
tors. eta vs tors. theta energy: -117.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -1193.983083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.983083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.983083 (E_RNA)
where:
Base-Base interactions energy: -805.096
where: short stacking energy: -347.549
Base-Backbone interact. energy: -0.134
local terms energy: -388.752705
where:
bonds (distance) C4'-P energy: -74.818
bonds (distance) P-C4' energy: -75.292
flat angles C4'-P-C4' energy: -80.607
flat angles P-C4'-P energy: -46.374
tors. eta vs tors. theta energy: -111.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -1057.408312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.408312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.408312 (E_RNA)
where:
Base-Base interactions energy: -717.187
where: short stacking energy: -301.517
Base-Backbone interact. energy: 0.623
local terms energy: -340.844086
where:
bonds (distance) C4'-P energy: -62.022
bonds (distance) P-C4' energy: -68.180
flat angles C4'-P-C4' energy: -77.351
flat angles P-C4'-P energy: -54.415
tors. eta vs tors. theta energy: -78.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -981.700416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.700416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.700416 (E_RNA)
where:
Base-Base interactions energy: -648.330
where: short stacking energy: -283.676
Base-Backbone interact. energy: -0.785
local terms energy: -332.584762
where:
bonds (distance) C4'-P energy: -71.204
bonds (distance) P-C4' energy: -71.271
flat angles C4'-P-C4' energy: -68.533
flat angles P-C4'-P energy: -40.990
tors. eta vs tors. theta energy: -80.587
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: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -893.027735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.027735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.027735 (E_RNA)
where:
Base-Base interactions energy: -574.916
where: short stacking energy: -263.463
Base-Backbone interact. energy: -1.581
local terms energy: -316.531152
where:
bonds (distance) C4'-P energy: -64.132
bonds (distance) P-C4' energy: -58.835
flat angles C4'-P-C4' energy: -74.202
flat angles P-C4'-P energy: -41.571
tors. eta vs tors. theta energy: -77.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -849.514359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.514359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.514359 (E_RNA)
where:
Base-Base interactions energy: -537.913
where: short stacking energy: -249.387
Base-Backbone interact. energy: -0.964
local terms energy: -310.636666
where:
bonds (distance) C4'-P energy: -59.904
bonds (distance) P-C4' energy: -69.831
flat angles C4'-P-C4' energy: -68.923
flat angles P-C4'-P energy: -44.965
tors. eta vs tors. theta energy: -67.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -499.339318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.339318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.339318 (E_RNA)
where:
Base-Base interactions energy: -263.199
where: short stacking energy: -141.347
Base-Backbone interact. energy: 0.560
local terms energy: -236.700531
where:
bonds (distance) C4'-P energy: -58.772
bonds (distance) P-C4' energy: -63.959
flat angles C4'-P-C4' energy: -64.349
flat angles P-C4'-P energy: -40.429
tors. eta vs tors. theta energy: -9.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -488.056148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.056148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.056148 (E_RNA)
where:
Base-Base interactions energy: -263.484
where: short stacking energy: -134.530
Base-Backbone interact. energy: -0.692
local terms energy: -223.880433
where:
bonds (distance) C4'-P energy: -65.302
bonds (distance) P-C4' energy: -71.291
flat angles C4'-P-C4' energy: -51.735
flat angles P-C4'-P energy: -32.307
tors. eta vs tors. theta energy: -3.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -465.804325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.804325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.804325 (E_RNA)
where:
Base-Base interactions energy: -247.236
where: short stacking energy: -120.320
Base-Backbone interact. energy: -1.195
local terms energy: -217.373462
where:
bonds (distance) C4'-P energy: -58.725
bonds (distance) P-C4' energy: -52.228
flat angles C4'-P-C4' energy: -66.795
flat angles P-C4'-P energy: -34.073
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: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1313.963820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.963820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.963820 (E_RNA)
where:
Base-Base interactions energy: -904.932
where: short stacking energy: -393.941
Base-Backbone interact. energy: -1.853
local terms energy: -407.177985
where:
bonds (distance) C4'-P energy: -76.641
bonds (distance) P-C4' energy: -67.808
flat angles C4'-P-C4' energy: -82.528
flat angles P-C4'-P energy: -69.308
tors. eta vs tors. theta energy: -110.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1244.973079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.973079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.973079 (E_RNA)
where:
Base-Base interactions energy: -843.605
where: short stacking energy: -371.016
Base-Backbone interact. energy: -0.462
local terms energy: -400.905419
where:
bonds (distance) C4'-P energy: -78.357
bonds (distance) P-C4' energy: -74.589
flat angles C4'-P-C4' energy: -80.966
flat angles P-C4'-P energy: -53.024
tors. eta vs tors. theta energy: -113.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1193.514309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.514309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.514309 (E_RNA)
where:
Base-Base interactions energy: -834.900
where: short stacking energy: -339.382
Base-Backbone interact. energy: -2.097
local terms energy: -356.518127
where:
bonds (distance) C4'-P energy: -73.407
bonds (distance) P-C4' energy: -62.221
flat angles C4'-P-C4' energy: -80.361
flat angles P-C4'-P energy: -44.340
tors. eta vs tors. theta energy: -96.189
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: 416
Temperature: 1.050000
Total energy: -1099.473044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.473044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.473044 (E_RNA)
where:
Base-Base interactions energy: -756.692
where: short stacking energy: -311.890
Base-Backbone interact. energy: -0.161
local terms energy: -342.620915
where:
bonds (distance) C4'-P energy: -60.471
bonds (distance) P-C4' energy: -69.651
flat angles C4'-P-C4' energy: -80.437
flat angles P-C4'-P energy: -52.716
tors. eta vs tors. theta energy: -79.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -987.862858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.862858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.862858 (E_RNA)
where:
Base-Base interactions energy: -648.137
where: short stacking energy: -266.190
Base-Backbone interact. energy: -0.575
local terms energy: -339.151114
where:
bonds (distance) C4'-P energy: -63.367
bonds (distance) P-C4' energy: -70.214
flat angles C4'-P-C4' energy: -80.091
flat angles P-C4'-P energy: -41.257
tors. eta vs tors. theta energy: -84.222
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: 5
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -897.080094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.080094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.080094 (E_RNA)
where:
Base-Base interactions energy: -575.119
where: short stacking energy: -264.227
Base-Backbone interact. energy: -1.180
local terms energy: -320.781989
where:
bonds (distance) C4'-P energy: -62.510
bonds (distance) P-C4' energy: -75.198
flat angles C4'-P-C4' energy: -65.432
flat angles P-C4'-P energy: -39.394
tors. eta vs tors. theta energy: -78.247
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: 416
Temperature: 1.200000
Total energy: -807.473780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.473780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.473780 (E_RNA)
where:
Base-Base interactions energy: -513.190
where: short stacking energy: -245.839
Base-Backbone interact. energy: -2.405
local terms energy: -291.879226
where:
bonds (distance) C4'-P energy: -68.972
bonds (distance) P-C4' energy: -53.533
flat angles C4'-P-C4' energy: -72.018
flat angles P-C4'-P energy: -42.453
tors. eta vs tors. theta energy: -54.902
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: 8
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -525.373491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.373491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.373491 (E_RNA)
where:
Base-Base interactions energy: -268.340
where: short stacking energy: -152.427
Base-Backbone interact. energy: 0.239
local terms energy: -257.272913
where:
bonds (distance) C4'-P energy: -57.877
bonds (distance) P-C4' energy: -64.448
flat angles C4'-P-C4' energy: -63.616
flat angles P-C4'-P energy: -41.642
tors. eta vs tors. theta energy: -29.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -499.907447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.907447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.907447 (E_RNA)
where:
Base-Base interactions energy: -263.820
where: short stacking energy: -139.597
Base-Backbone interact. energy: -1.088
local terms energy: -234.999623
where:
bonds (distance) C4'-P energy: -71.082
bonds (distance) P-C4' energy: -61.658
flat angles C4'-P-C4' energy: -62.447
flat angles P-C4'-P energy: -19.918
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: 10, replica: 6
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -467.782469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.782469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.782469 (E_RNA)
where:
Base-Base interactions energy: -237.160
where: short stacking energy: -105.792
Base-Backbone interact. energy: -0.161
local terms energy: -230.462092
where:
bonds (distance) C4'-P energy: -69.014
bonds (distance) P-C4' energy: -66.280
flat angles C4'-P-C4' energy: -68.376
flat angles P-C4'-P energy: -30.467
tors. eta vs tors. theta energy: 3.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1315.395422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.395422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.395422 (E_RNA)
where:
Base-Base interactions energy: -915.915
where: short stacking energy: -395.683
Base-Backbone interact. energy: -0.983
local terms energy: -398.496954
where:
bonds (distance) C4'-P energy: -69.490
bonds (distance) P-C4' energy: -78.058
flat angles C4'-P-C4' energy: -87.422
flat angles P-C4'-P energy: -50.124
tors. eta vs tors. theta energy: -113.402
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: 9
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1256.902040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.902040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.902040 (E_RNA)
where:
Base-Base interactions energy: -855.584
where: short stacking energy: -373.042
Base-Backbone interact. energy: -0.828
local terms energy: -400.489889
where:
bonds (distance) C4'-P energy: -67.031
bonds (distance) P-C4' energy: -80.171
flat angles C4'-P-C4' energy: -80.176
flat angles P-C4'-P energy: -56.223
tors. eta vs tors. theta energy: -116.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -1201.947733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.947733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.947733 (E_RNA)
where:
Base-Base interactions energy: -818.044
where: short stacking energy: -348.905
Base-Backbone interact. energy: -3.414
local terms energy: -380.489248
where:
bonds (distance) C4'-P energy: -72.010
bonds (distance) P-C4' energy: -67.180
flat angles C4'-P-C4' energy: -84.325
flat angles P-C4'-P energy: -47.465
tors. eta vs tors. theta energy: -109.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1091.941131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.941131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.941131 (E_RNA)
where:
Base-Base interactions energy: -744.514
where: short stacking energy: -304.619
Base-Backbone interact. energy: -2.340
local terms energy: -345.087712
where:
bonds (distance) C4'-P energy: -70.425
bonds (distance) P-C4' energy: -58.219
flat angles C4'-P-C4' energy: -79.310
flat angles P-C4'-P energy: -55.191
tors. eta vs tors. theta energy: -81.942
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: 10
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -988.897779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.897779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.897779 (E_RNA)
where:
Base-Base interactions energy: -634.385
where: short stacking energy: -283.142
Base-Backbone interact. energy: 0.646
local terms energy: -355.158795
where:
bonds (distance) C4'-P energy: -66.722
bonds (distance) P-C4' energy: -71.958
flat angles C4'-P-C4' energy: -79.414
flat angles P-C4'-P energy: -55.074
tors. eta vs tors. theta energy: -81.991
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: 5
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -902.497427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.497427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.497427 (E_RNA)
where:
Base-Base interactions energy: -586.404
where: short stacking energy: -251.208
Base-Backbone interact. energy: -1.076
local terms energy: -315.017205
where:
bonds (distance) C4'-P energy: -65.391
bonds (distance) P-C4' energy: -67.129
flat angles C4'-P-C4' energy: -71.914
flat angles P-C4'-P energy: -51.489
tors. eta vs tors. theta energy: -59.095
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: 7, replica: 3
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -845.467301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.467301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.467301 (E_RNA)
where:
Base-Base interactions energy: -531.638
where: short stacking energy: -245.338
Base-Backbone interact. energy: -1.199
local terms energy: -312.629792
where:
bonds (distance) C4'-P energy: -57.810
bonds (distance) P-C4' energy: -70.697
flat angles C4'-P-C4' energy: -70.386
flat angles P-C4'-P energy: -54.022
tors. eta vs tors. theta energy: -59.714
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: 4
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -503.947769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.947769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.947769 (E_RNA)
where:
Base-Base interactions energy: -245.947
where: short stacking energy: -134.497
Base-Backbone interact. energy: -2.288
local terms energy: -255.712092
where:
bonds (distance) C4'-P energy: -72.444
bonds (distance) P-C4' energy: -73.664
flat angles C4'-P-C4' energy: -61.846
flat angles P-C4'-P energy: -32.852
tors. eta vs tors. theta energy: -14.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -449.737885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.737885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.737885 (E_RNA)
where:
Base-Base interactions energy: -239.727
where: short stacking energy: -121.524
Base-Backbone interact. energy: -0.776
local terms energy: -209.235608
where:
bonds (distance) C4'-P energy: -58.240
bonds (distance) P-C4' energy: -56.761
flat angles C4'-P-C4' energy: -44.235
flat angles P-C4'-P energy: -41.853
tors. eta vs tors. theta energy: -8.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -461.632412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.632412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.632412 (E_RNA)
where:
Base-Base interactions energy: -251.023
where: short stacking energy: -141.895
Base-Backbone interact. energy: -1.305
local terms energy: -209.304972
where:
bonds (distance) C4'-P energy: -67.701
bonds (distance) P-C4' energy: -46.331
flat angles C4'-P-C4' energy: -43.048
flat angles P-C4'-P energy: -37.797
tors. eta vs tors. theta energy: -14.428
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: 418
Temperature: 0.900000
Total energy: -1333.146369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.146369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.146369 (E_RNA)
where:
Base-Base interactions energy: -907.790
where: short stacking energy: -387.480
Base-Backbone interact. energy: -0.628
local terms energy: -424.727818
where:
bonds (distance) C4'-P energy: -79.478
bonds (distance) P-C4' energy: -81.667
flat angles C4'-P-C4' energy: -85.410
flat angles P-C4'-P energy: -62.573
tors. eta vs tors. theta energy: -115.600
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: 9
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1223.392563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.392563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.392563 (E_RNA)
where:
Base-Base interactions energy: -824.553
where: short stacking energy: -366.286
Base-Backbone interact. energy: -1.069
local terms energy: -397.770145
where:
bonds (distance) C4'-P energy: -66.961
bonds (distance) P-C4' energy: -71.565
flat angles C4'-P-C4' energy: -81.724
flat angles P-C4'-P energy: -56.040
tors. eta vs tors. theta energy: -121.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1214.717250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.717250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.717250 (E_RNA)
where:
Base-Base interactions energy: -836.569
where: short stacking energy: -348.128
Base-Backbone interact. energy: -4.403
local terms energy: -373.745591
where:
bonds (distance) C4'-P energy: -57.612
bonds (distance) P-C4' energy: -70.478
flat angles C4'-P-C4' energy: -81.434
flat angles P-C4'-P energy: -50.851
tors. eta vs tors. theta energy: -113.371
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: 7
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1097.614151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.614151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.614151 (E_RNA)
where:
Base-Base interactions energy: -746.446
where: short stacking energy: -317.940
Base-Backbone interact. energy: -2.011
local terms energy: -349.157284
where:
bonds (distance) C4'-P energy: -67.643
bonds (distance) P-C4' energy: -73.406
flat angles C4'-P-C4' energy: -68.913
flat angles P-C4'-P energy: -43.302
tors. eta vs tors. theta energy: -95.893
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: 10
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -1000.326903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.326903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.326903 (E_RNA)
where:
Base-Base interactions energy: -661.007
where: short stacking energy: -288.399
Base-Backbone interact. energy: -1.219
local terms energy: -338.100309
where:
bonds (distance) C4'-P energy: -67.452
bonds (distance) P-C4' energy: -67.483
flat angles C4'-P-C4' energy: -70.245
flat angles P-C4'-P energy: -51.803
tors. eta vs tors. theta energy: -81.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -875.772488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.772488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.772488 (E_RNA)
where:
Base-Base interactions energy: -574.469
where: short stacking energy: -237.573
Base-Backbone interact. energy: 0.510
local terms energy: -301.813444
where:
bonds (distance) C4'-P energy: -67.263
bonds (distance) P-C4' energy: -60.888
flat angles C4'-P-C4' energy: -69.047
flat angles P-C4'-P energy: -41.187
tors. eta vs tors. theta energy: -63.428
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: 3
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -843.086237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.086237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.086237 (E_RNA)
where:
Base-Base interactions energy: -531.806
where: short stacking energy: -256.092
Base-Backbone interact. energy: -1.454
local terms energy: -309.826492
where:
bonds (distance) C4'-P energy: -60.540
bonds (distance) P-C4' energy: -54.120
flat angles C4'-P-C4' energy: -73.214
flat angles P-C4'-P energy: -47.910
tors. eta vs tors. theta energy: -74.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -517.940934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.940934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.940934 (E_RNA)
where:
Base-Base interactions energy: -273.993
where: short stacking energy: -156.547
Base-Backbone interact. energy: -1.572
local terms energy: -242.375734
where:
bonds (distance) C4'-P energy: -64.058
bonds (distance) P-C4' energy: -48.749
flat angles C4'-P-C4' energy: -62.250
flat angles P-C4'-P energy: -42.542
tors. eta vs tors. theta energy: -24.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -530.098944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.098944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.098944 (E_RNA)
where:
Base-Base interactions energy: -289.603
where: short stacking energy: -147.129
Base-Backbone interact. energy: 0.977
local terms energy: -241.473357
where:
bonds (distance) C4'-P energy: -58.886
bonds (distance) P-C4' energy: -65.983
flat angles C4'-P-C4' energy: -52.753
flat angles P-C4'-P energy: -39.135
tors. eta vs tors. theta energy: -24.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -448.927213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.927213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.927213 (E_RNA)
where:
Base-Base interactions energy: -240.449
where: short stacking energy: -128.728
Base-Backbone interact. energy: 2.370
local terms energy: -210.848806
where:
bonds (distance) C4'-P energy: -60.142
bonds (distance) P-C4' energy: -50.299
flat angles C4'-P-C4' energy: -59.493
flat angles P-C4'-P energy: -29.768
tors. eta vs tors. theta energy: -11.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1314.937813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.937813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.937813 (E_RNA)
where:
Base-Base interactions energy: -903.591
where: short stacking energy: -383.052
Base-Backbone interact. energy: -1.156
local terms energy: -410.190839
where:
bonds (distance) C4'-P energy: -79.766
bonds (distance) P-C4' energy: -64.662
flat angles C4'-P-C4' energy: -87.164
flat angles P-C4'-P energy: -59.135
tors. eta vs tors. theta energy: -119.463
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: 1
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1257.640043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.640043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.640043 (E_RNA)
where:
Base-Base interactions energy: -853.664
where: short stacking energy: -355.179
Base-Backbone interact. energy: -4.162
local terms energy: -399.814200
where:
bonds (distance) C4'-P energy: -72.101
bonds (distance) P-C4' energy: -80.496
flat angles C4'-P-C4' energy: -76.845
flat angles P-C4'-P energy: -61.896
tors. eta vs tors. theta energy: -108.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -1207.636417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.636417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.636417 (E_RNA)
where:
Base-Base interactions energy: -832.303
where: short stacking energy: -366.772
Base-Backbone interact. energy: 0.278
local terms energy: -375.611821
where:
bonds (distance) C4'-P energy: -62.426
bonds (distance) P-C4' energy: -75.917
flat angles C4'-P-C4' energy: -77.131
flat angles P-C4'-P energy: -51.316
tors. eta vs tors. theta energy: -108.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1094.980699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.980699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.980699 (E_RNA)
where:
Base-Base interactions energy: -738.367
where: short stacking energy: -299.345
Base-Backbone interact. energy: 1.882
local terms energy: -358.495154
where:
bonds (distance) C4'-P energy: -73.486
bonds (distance) P-C4' energy: -67.586
flat angles C4'-P-C4' energy: -77.156
flat angles P-C4'-P energy: -59.039
tors. eta vs tors. theta energy: -81.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -985.787252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.787252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.787252 (E_RNA)
where:
Base-Base interactions energy: -649.567
where: short stacking energy: -276.176
Base-Backbone interact. energy: -1.451
local terms energy: -334.769330
where:
bonds (distance) C4'-P energy: -67.827
bonds (distance) P-C4' energy: -77.882
flat angles C4'-P-C4' energy: -65.461
flat angles P-C4'-P energy: -49.735
tors. eta vs tors. theta energy: -73.866
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: 5
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -881.878563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.878563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.878563 (E_RNA)
where:
Base-Base interactions energy: -565.208
where: short stacking energy: -257.641
Base-Backbone interact. energy: 0.081
local terms energy: -316.751730
where:
bonds (distance) C4'-P energy: -63.050
bonds (distance) P-C4' energy: -67.482
flat angles C4'-P-C4' energy: -69.254
flat angles P-C4'-P energy: -49.300
tors. eta vs tors. theta energy: -67.665
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: 3
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -803.031306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.031306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.031306 (E_RNA)
where:
Base-Base interactions energy: -506.367
where: short stacking energy: -218.378
Base-Backbone interact. energy: -0.895
local terms energy: -295.770130
where:
bonds (distance) C4'-P energy: -65.358
bonds (distance) P-C4' energy: -62.073
flat angles C4'-P-C4' energy: -67.098
flat angles P-C4'-P energy: -45.604
tors. eta vs tors. theta energy: -55.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -542.358704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.358704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.358704 (E_RNA)
where:
Base-Base interactions energy: -290.984
where: short stacking energy: -149.744
Base-Backbone interact. energy: -0.706
local terms energy: -250.669280
where:
bonds (distance) C4'-P energy: -65.339
bonds (distance) P-C4' energy: -66.443
flat angles C4'-P-C4' energy: -62.817
flat angles P-C4'-P energy: -38.707
tors. eta vs tors. theta energy: -17.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -479.148222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.148222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.148222 (E_RNA)
where:
Base-Base interactions energy: -245.335
where: short stacking energy: -126.296
Base-Backbone interact. energy: -0.686
local terms energy: -233.127100
where:
bonds (distance) C4'-P energy: -64.641
bonds (distance) P-C4' energy: -70.261
flat angles C4'-P-C4' energy: -44.846
flat angles P-C4'-P energy: -41.417
tors. eta vs tors. theta energy: -11.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -445.934599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.934599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.934599 (E_RNA)
where:
Base-Base interactions energy: -221.312
where: short stacking energy: -121.026
Base-Backbone interact. energy: 1.649
local terms energy: -226.271927
where:
bonds (distance) C4'-P energy: -62.425
bonds (distance) P-C4' energy: -64.523
flat angles C4'-P-C4' energy: -58.373
flat angles P-C4'-P energy: -24.789
tors. eta vs tors. theta energy: -16.161
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: 420
Temperature: 0.900000
Total energy: -1298.710016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.710016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.710016 (E_RNA)
where:
Base-Base interactions energy: -889.945
where: short stacking energy: -374.096
Base-Backbone interact. energy: -2.920
local terms energy: -405.844632
where:
bonds (distance) C4'-P energy: -74.395
bonds (distance) P-C4' energy: -71.961
flat angles C4'-P-C4' energy: -85.080
flat angles P-C4'-P energy: -59.898
tors. eta vs tors. theta energy: -114.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1243.956874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.956874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.956874 (E_RNA)
where:
Base-Base interactions energy: -842.521
where: short stacking energy: -352.752
Base-Backbone interact. energy: -6.122
local terms energy: -395.313736
where:
bonds (distance) C4'-P energy: -76.077
bonds (distance) P-C4' energy: -76.076
flat angles C4'-P-C4' energy: -79.175
flat angles P-C4'-P energy: -55.390
tors. eta vs tors. theta energy: -108.596
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: 3, replica: 9
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1212.048372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.048372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.048372 (E_RNA)
where:
Base-Base interactions energy: -826.974
where: short stacking energy: -367.059
Base-Backbone interact. energy: -0.699
local terms energy: -384.375070
where:
bonds (distance) C4'-P energy: -61.034
bonds (distance) P-C4' energy: -66.392
flat angles C4'-P-C4' energy: -83.893
flat angles P-C4'-P energy: -58.321
tors. eta vs tors. theta energy: -114.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1087.581266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.581266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.581266 (E_RNA)
where:
Base-Base interactions energy: -740.933
where: short stacking energy: -331.903
Base-Backbone interact. energy: 0.729
local terms energy: -347.376821
where:
bonds (distance) C4'-P energy: -59.012
bonds (distance) P-C4' energy: -76.588
flat angles C4'-P-C4' energy: -77.903
flat angles P-C4'-P energy: -50.397
tors. eta vs tors. theta energy: -83.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1021.196991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.196991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.196991 (E_RNA)
where:
Base-Base interactions energy: -681.677
where: short stacking energy: -329.903
Base-Backbone interact. energy: -1.590
local terms energy: -337.929851
where:
bonds (distance) C4'-P energy: -65.838
bonds (distance) P-C4' energy: -54.535
flat angles C4'-P-C4' energy: -74.688
flat angles P-C4'-P energy: -53.201
tors. eta vs tors. theta energy: -89.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -867.850964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.850964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.850964 (E_RNA)
where:
Base-Base interactions energy: -555.007
where: short stacking energy: -242.440
Base-Backbone interact. energy: -2.250
local terms energy: -310.593444
where:
bonds (distance) C4'-P energy: -66.690
bonds (distance) P-C4' energy: -63.766
flat angles C4'-P-C4' energy: -60.783
flat angles P-C4'-P energy: -57.958
tors. eta vs tors. theta energy: -61.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -839.996139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.996139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.996139 (E_RNA)
where:
Base-Base interactions energy: -543.161
where: short stacking energy: -240.078
Base-Backbone interact. energy: -0.579
local terms energy: -296.255617
where:
bonds (distance) C4'-P energy: -70.743
bonds (distance) P-C4' energy: -61.673
flat angles C4'-P-C4' energy: -66.220
flat angles P-C4'-P energy: -42.721
tors. eta vs tors. theta energy: -54.899
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: 8, replica: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -512.208707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.208707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.208707 (E_RNA)
where:
Base-Base interactions energy: -273.987
where: short stacking energy: -154.852
Base-Backbone interact. energy: 1.799
local terms energy: -240.021400
where:
bonds (distance) C4'-P energy: -56.025
bonds (distance) P-C4' energy: -67.046
flat angles C4'-P-C4' energy: -78.948
flat angles P-C4'-P energy: -26.300
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: 9, replica: 4
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -525.501155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.501155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.501155 (E_RNA)
where:
Base-Base interactions energy: -303.099
where: short stacking energy: -147.666
Base-Backbone interact. energy: 1.215
local terms energy: -223.617000
where:
bonds (distance) C4'-P energy: -55.035
bonds (distance) P-C4' energy: -53.514
flat angles C4'-P-C4' energy: -58.662
flat angles P-C4'-P energy: -42.268
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: 10, replica: 6
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -462.197614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.197614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.197614 (E_RNA)
where:
Base-Base interactions energy: -244.683
where: short stacking energy: -140.574
Base-Backbone interact. energy: -0.875
local terms energy: -216.639343
where:
bonds (distance) C4'-P energy: -61.486
bonds (distance) P-C4' energy: -57.541
flat angles C4'-P-C4' energy: -53.877
flat angles P-C4'-P energy: -30.994
tors. eta vs tors. theta energy: -12.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1316.076588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.076588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.076588 (E_RNA)
where:
Base-Base interactions energy: -912.726
where: short stacking energy: -382.354
Base-Backbone interact. energy: -0.499
local terms energy: -402.851561
where:
bonds (distance) C4'-P energy: -76.139
bonds (distance) P-C4' energy: -67.249
flat angles C4'-P-C4' energy: -85.123
flat angles P-C4'-P energy: -60.963
tors. eta vs tors. theta energy: -113.379
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: 9
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1234.077788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.077788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.077788 (E_RNA)
where:
Base-Base interactions energy: -839.057
where: short stacking energy: -367.063
Base-Backbone interact. energy: 0.201
local terms energy: -395.222192
where:
bonds (distance) C4'-P energy: -67.924
bonds (distance) P-C4' energy: -80.314
flat angles C4'-P-C4' energy: -83.341
flat angles P-C4'-P energy: -58.783
tors. eta vs tors. theta energy: -104.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1210.085759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.085759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.085759 (E_RNA)
where:
Base-Base interactions energy: -829.003
where: short stacking energy: -359.991
Base-Backbone interact. energy: -2.661
local terms energy: -378.422078
where:
bonds (distance) C4'-P energy: -61.170
bonds (distance) P-C4' energy: -73.621
flat angles C4'-P-C4' energy: -85.208
flat angles P-C4'-P energy: -49.452
tors. eta vs tors. theta energy: -108.971
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: 7
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1066.447791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.447791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.447791 (E_RNA)
where:
Base-Base interactions energy: -723.641
where: short stacking energy: -292.261
Base-Backbone interact. energy: -2.174
local terms energy: -340.632797
where:
bonds (distance) C4'-P energy: -64.218
bonds (distance) P-C4' energy: -63.117
flat angles C4'-P-C4' energy: -70.058
flat angles P-C4'-P energy: -56.522
tors. eta vs tors. theta energy: -86.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -974.403170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.403170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.403170 (E_RNA)
where:
Base-Base interactions energy: -648.617
where: short stacking energy: -269.509
Base-Backbone interact. energy: -1.851
local terms energy: -323.934939
where:
bonds (distance) C4'-P energy: -69.360
bonds (distance) P-C4' energy: -77.198
flat angles C4'-P-C4' energy: -70.250
flat angles P-C4'-P energy: -43.749
tors. eta vs tors. theta energy: -63.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -852.927990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.927990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.927990 (E_RNA)
where:
Base-Base interactions energy: -545.486
where: short stacking energy: -244.407
Base-Backbone interact. energy: 0.699
local terms energy: -308.141343
where:
bonds (distance) C4'-P energy: -54.206
bonds (distance) P-C4' energy: -68.636
flat angles C4'-P-C4' energy: -67.653
flat angles P-C4'-P energy: -40.739
tors. eta vs tors. theta energy: -76.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -849.649268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.649268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.649268 (E_RNA)
where:
Base-Base interactions energy: -556.024
where: short stacking energy: -248.795
Base-Backbone interact. energy: -0.361
local terms energy: -293.263747
where:
bonds (distance) C4'-P energy: -67.731
bonds (distance) P-C4' energy: -53.838
flat angles C4'-P-C4' energy: -66.799
flat angles P-C4'-P energy: -38.973
tors. eta vs tors. theta energy: -65.922
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: 8, replica: 8
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -492.218390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.218390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.218390 (E_RNA)
where:
Base-Base interactions energy: -256.055
where: short stacking energy: -157.090
Base-Backbone interact. energy: -1.997
local terms energy: -234.167148
where:
bonds (distance) C4'-P energy: -66.962
bonds (distance) P-C4' energy: -60.862
flat angles C4'-P-C4' energy: -53.824
flat angles P-C4'-P energy: -30.095
tors. eta vs tors. theta energy: -22.425
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: 4
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -484.769129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.769129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.769129 (E_RNA)
where:
Base-Base interactions energy: -231.753
where: short stacking energy: -126.105
Base-Backbone interact. energy: 2.075
local terms energy: -255.091336
where:
bonds (distance) C4'-P energy: -60.410
bonds (distance) P-C4' energy: -81.170
flat angles C4'-P-C4' energy: -62.863
flat angles P-C4'-P energy: -36.103
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: 10, replica: 6
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -476.937292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.937292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.937292 (E_RNA)
where:
Base-Base interactions energy: -268.365
where: short stacking energy: -148.112
Base-Backbone interact. energy: 1.947
local terms energy: -210.520070
where:
bonds (distance) C4'-P energy: -58.902
bonds (distance) P-C4' energy: -62.538
flat angles C4'-P-C4' energy: -45.637
flat angles P-C4'-P energy: -21.622
tors. eta vs tors. theta energy: -21.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1322.347977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.347977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.347977 (E_RNA)
where:
Base-Base interactions energy: -906.076
where: short stacking energy: -385.261
Base-Backbone interact. energy: -0.712
local terms energy: -415.559843
where:
bonds (distance) C4'-P energy: -77.072
bonds (distance) P-C4' energy: -76.159
flat angles C4'-P-C4' energy: -84.158
flat angles P-C4'-P energy: -60.219
tors. eta vs tors. theta energy: -117.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1283.019092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.019092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.019092 (E_RNA)
where:
Base-Base interactions energy: -880.698
where: short stacking energy: -369.498
Base-Backbone interact. energy: -0.552
local terms energy: -401.769927
where:
bonds (distance) C4'-P energy: -72.542
bonds (distance) P-C4' energy: -72.545
flat angles C4'-P-C4' energy: -84.807
flat angles P-C4'-P energy: -58.566
tors. eta vs tors. theta energy: -113.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1223.925553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.925553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.925553 (E_RNA)
where:
Base-Base interactions energy: -825.665
where: short stacking energy: -340.013
Base-Backbone interact. energy: -3.127
local terms energy: -395.133734
where:
bonds (distance) C4'-P energy: -62.453
bonds (distance) P-C4' energy: -76.578
flat angles C4'-P-C4' energy: -84.217
flat angles P-C4'-P energy: -60.206
tors. eta vs tors. theta energy: -111.680
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: 4, replica: 7
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1114.271780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.271780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.271780 (E_RNA)
where:
Base-Base interactions energy: -761.035
where: short stacking energy: -321.175
Base-Backbone interact. energy: -0.988
local terms energy: -352.249253
where:
bonds (distance) C4'-P energy: -62.751
bonds (distance) P-C4' energy: -79.411
flat angles C4'-P-C4' energy: -72.153
flat angles P-C4'-P energy: -46.247
tors. eta vs tors. theta energy: -91.688
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: 10
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -987.610187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.610187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.610187 (E_RNA)
where:
Base-Base interactions energy: -646.264
where: short stacking energy: -289.600
Base-Backbone interact. energy: 0.777
local terms energy: -342.122568
where:
bonds (distance) C4'-P energy: -69.738
bonds (distance) P-C4' energy: -64.180
flat angles C4'-P-C4' energy: -76.317
flat angles P-C4'-P energy: -52.413
tors. eta vs tors. theta energy: -79.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -841.800301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.800301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.800301 (E_RNA)
where:
Base-Base interactions energy: -542.745
where: short stacking energy: -245.956
Base-Backbone interact. energy: -0.762
local terms energy: -298.294267
where:
bonds (distance) C4'-P energy: -63.074
bonds (distance) P-C4' energy: -57.314
flat angles C4'-P-C4' energy: -71.646
flat angles P-C4'-P energy: -46.068
tors. eta vs tors. theta energy: -60.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -830.033601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.033601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.033601 (E_RNA)
where:
Base-Base interactions energy: -535.609
where: short stacking energy: -233.909
Base-Backbone interact. energy: -1.199
local terms energy: -293.224980
where:
bonds (distance) C4'-P energy: -60.433
bonds (distance) P-C4' energy: -62.621
flat angles C4'-P-C4' energy: -79.449
flat angles P-C4'-P energy: -35.297
tors. eta vs tors. theta energy: -55.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -512.131212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.131212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.131212 (E_RNA)
where:
Base-Base interactions energy: -265.141
where: short stacking energy: -149.139
Base-Backbone interact. energy: 0.102
local terms energy: -247.091647
where:
bonds (distance) C4'-P energy: -62.796
bonds (distance) P-C4' energy: -67.244
flat angles C4'-P-C4' energy: -64.695
flat angles P-C4'-P energy: -35.311
tors. eta vs tors. theta energy: -17.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -461.418094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.418094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.418094 (E_RNA)
where:
Base-Base interactions energy: -250.241
where: short stacking energy: -129.896
Base-Backbone interact. energy: 3.797
local terms energy: -214.973626
where:
bonds (distance) C4'-P energy: -56.251
bonds (distance) P-C4' energy: -75.861
flat angles C4'-P-C4' energy: -37.527
flat angles P-C4'-P energy: -36.567
tors. eta vs tors. theta energy: -8.767
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: 6
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -462.963307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.963307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.963307 (E_RNA)
where:
Base-Base interactions energy: -246.687
where: short stacking energy: -116.375
Base-Backbone interact. energy: -2.415
local terms energy: -213.861028
where:
bonds (distance) C4'-P energy: -62.865
bonds (distance) P-C4' energy: -61.767
flat angles C4'-P-C4' energy: -52.752
flat angles P-C4'-P energy: -32.993
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: 1, replica: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1321.495979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.495979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.495979 (E_RNA)
where:
Base-Base interactions energy: -928.164
where: short stacking energy: -388.313
Base-Backbone interact. energy: -0.818
local terms energy: -392.513758
where:
bonds (distance) C4'-P energy: -71.856
bonds (distance) P-C4' energy: -66.392
flat angles C4'-P-C4' energy: -86.288
flat angles P-C4'-P energy: -52.754
tors. eta vs tors. theta energy: -115.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1266.615997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.615997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.615997 (E_RNA)
where:
Base-Base interactions energy: -859.309
where: short stacking energy: -375.818
Base-Backbone interact. energy: -0.348
local terms energy: -406.958998
where:
bonds (distance) C4'-P energy: -70.930
bonds (distance) P-C4' energy: -75.667
flat angles C4'-P-C4' energy: -80.665
flat angles P-C4'-P energy: -58.089
tors. eta vs tors. theta energy: -121.608
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: 3, replica: 1
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1210.711595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.711595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.711595 (E_RNA)
where:
Base-Base interactions energy: -843.233
where: short stacking energy: -366.808
Base-Backbone interact. energy: -1.713
local terms energy: -365.765078
where:
bonds (distance) C4'-P energy: -65.397
bonds (distance) P-C4' energy: -59.255
flat angles C4'-P-C4' energy: -79.352
flat angles P-C4'-P energy: -50.045
tors. eta vs tors. theta energy: -111.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1107.502340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.502340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.502340 (E_RNA)
where:
Base-Base interactions energy: -788.488
where: short stacking energy: -319.173
Base-Backbone interact. energy: -0.610
local terms energy: -318.404761
where:
bonds (distance) C4'-P energy: -62.048
bonds (distance) P-C4' energy: -58.167
flat angles C4'-P-C4' energy: -72.395
flat angles P-C4'-P energy: -42.244
tors. eta vs tors. theta energy: -83.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -950.641087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.641087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.641087 (E_RNA)
where:
Base-Base interactions energy: -623.987
where: short stacking energy: -281.534
Base-Backbone interact. energy: -0.511
local terms energy: -326.142949
where:
bonds (distance) C4'-P energy: -74.497
bonds (distance) P-C4' energy: -59.656
flat angles C4'-P-C4' energy: -65.123
flat angles P-C4'-P energy: -43.726
tors. eta vs tors. theta energy: -83.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -910.557898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.557898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.557898 (E_RNA)
where:
Base-Base interactions energy: -589.018
where: short stacking energy: -255.120
Base-Backbone interact. energy: -1.270
local terms energy: -320.269828
where:
bonds (distance) C4'-P energy: -65.743
bonds (distance) P-C4' energy: -66.344
flat angles C4'-P-C4' energy: -64.499
flat angles P-C4'-P energy: -48.595
tors. eta vs tors. theta energy: -75.089
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: 3
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -830.926583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.926583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.926583 (E_RNA)
where:
Base-Base interactions energy: -552.333
where: short stacking energy: -244.366
Base-Backbone interact. energy: -0.680
local terms energy: -277.913822
where:
bonds (distance) C4'-P energy: -55.672
bonds (distance) P-C4' energy: -67.255
flat angles C4'-P-C4' energy: -63.860
flat angles P-C4'-P energy: -32.013
tors. eta vs tors. theta energy: -59.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -518.754034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.754034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.754034 (E_RNA)
where:
Base-Base interactions energy: -280.257
where: short stacking energy: -128.210
Base-Backbone interact. energy: -0.244
local terms energy: -238.252980
where:
bonds (distance) C4'-P energy: -67.876
bonds (distance) P-C4' energy: -53.513
flat angles C4'-P-C4' energy: -69.003
flat angles P-C4'-P energy: -38.934
tors. eta vs tors. theta energy: -8.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -474.592387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.592387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.592387 (E_RNA)
where:
Base-Base interactions energy: -236.315
where: short stacking energy: -114.146
Base-Backbone interact. energy: -0.526
local terms energy: -237.751708
where:
bonds (distance) C4'-P energy: -60.542
bonds (distance) P-C4' energy: -64.230
flat angles C4'-P-C4' energy: -67.761
flat angles P-C4'-P energy: -32.248
tors. eta vs tors. theta energy: -12.970
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: 6
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -459.534756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.534756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.534756 (E_RNA)
where:
Base-Base interactions energy: -246.078
where: short stacking energy: -138.513
Base-Backbone interact. energy: -0.617
local terms energy: -212.839448
where:
bonds (distance) C4'-P energy: -56.145
bonds (distance) P-C4' energy: -46.030
flat angles C4'-P-C4' energy: -60.850
flat angles P-C4'-P energy: -34.979
tors. eta vs tors. theta energy: -14.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1311.340487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.340487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.340487 (E_RNA)
where:
Base-Base interactions energy: -908.591
where: short stacking energy: -386.397
Base-Backbone interact. energy: -0.818
local terms energy: -401.931669
where:
bonds (distance) C4'-P energy: -71.085
bonds (distance) P-C4' energy: -75.854
flat angles C4'-P-C4' energy: -80.835
flat angles P-C4'-P energy: -59.165
tors. eta vs tors. theta energy: -114.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1263.031550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.031550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.031550 (E_RNA)
where:
Base-Base interactions energy: -871.978
where: short stacking energy: -370.713
Base-Backbone interact. energy: -1.452
local terms energy: -389.601076
where:
bonds (distance) C4'-P energy: -66.611
bonds (distance) P-C4' energy: -69.405
flat angles C4'-P-C4' energy: -84.587
flat angles P-C4'-P energy: -53.524
tors. eta vs tors. theta energy: -115.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1228.141426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.141426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.141426 (E_RNA)
where:
Base-Base interactions energy: -843.765
where: short stacking energy: -358.066
Base-Backbone interact. energy: -0.340
local terms energy: -384.036657
where:
bonds (distance) C4'-P energy: -70.151
bonds (distance) P-C4' energy: -74.185
flat angles C4'-P-C4' energy: -80.892
flat angles P-C4'-P energy: -51.039
tors. eta vs tors. theta energy: -107.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -1078.476064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.476064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.476064 (E_RNA)
where:
Base-Base interactions energy: -732.123
where: short stacking energy: -294.401
Base-Backbone interact. energy: 2.099
local terms energy: -348.452062
where:
bonds (distance) C4'-P energy: -75.801
bonds (distance) P-C4' energy: -65.365
flat angles C4'-P-C4' energy: -75.557
flat angles P-C4'-P energy: -41.199
tors. eta vs tors. theta energy: -90.529
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: 10
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -952.838673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.838673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.838673 (E_RNA)
where:
Base-Base interactions energy: -634.380
where: short stacking energy: -251.227
Base-Backbone interact. energy: 3.261
local terms energy: -321.719782
where:
bonds (distance) C4'-P energy: -58.510
bonds (distance) P-C4' energy: -74.827
flat angles C4'-P-C4' energy: -71.132
flat angles P-C4'-P energy: -49.285
tors. eta vs tors. theta energy: -67.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -879.230320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.230320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.230320 (E_RNA)
where:
Base-Base interactions energy: -564.828
where: short stacking energy: -256.419
Base-Backbone interact. energy: -1.125
local terms energy: -313.276905
where:
bonds (distance) C4'-P energy: -66.119
bonds (distance) P-C4' energy: -66.545
flat angles C4'-P-C4' energy: -70.408
flat angles P-C4'-P energy: -39.654
tors. eta vs tors. theta energy: -70.551
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: 424
Temperature: 1.200000
Total energy: -814.054822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.054822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.054822 (E_RNA)
where:
Base-Base interactions energy: -523.106
where: short stacking energy: -222.475
Base-Backbone interact. energy: -0.576
local terms energy: -290.372333
where:
bonds (distance) C4'-P energy: -58.397
bonds (distance) P-C4' energy: -67.809
flat angles C4'-P-C4' energy: -70.906
flat angles P-C4'-P energy: -37.975
tors. eta vs tors. theta energy: -55.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -537.689658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.689658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.689658 (E_RNA)
where:
Base-Base interactions energy: -298.887
where: short stacking energy: -146.335
Base-Backbone interact. energy: -2.554
local terms energy: -236.249095
where:
bonds (distance) C4'-P energy: -55.069
bonds (distance) P-C4' energy: -60.913
flat angles C4'-P-C4' energy: -63.639
flat angles P-C4'-P energy: -43.813
tors. eta vs tors. theta energy: -12.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -456.293778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.293778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.293778 (E_RNA)
where:
Base-Base interactions energy: -244.434
where: short stacking energy: -138.182
Base-Backbone interact. energy: -0.977
local terms energy: -210.882190
where:
bonds (distance) C4'-P energy: -58.872
bonds (distance) P-C4' energy: -75.014
flat angles C4'-P-C4' energy: -43.961
flat angles P-C4'-P energy: -31.188
tors. eta vs tors. theta energy: -1.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -462.173156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.173156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.173156 (E_RNA)
where:
Base-Base interactions energy: -217.206
where: short stacking energy: -113.630
Base-Backbone interact. energy: 2.121
local terms energy: -247.088603
where:
bonds (distance) C4'-P energy: -71.238
bonds (distance) P-C4' energy: -67.752
flat angles C4'-P-C4' energy: -64.018
flat angles P-C4'-P energy: -40.816
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: 1, replica: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1308.279202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.279202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.279202 (E_RNA)
where:
Base-Base interactions energy: -888.241
where: short stacking energy: -366.106
Base-Backbone interact. energy: -1.862
local terms energy: -418.176357
where:
bonds (distance) C4'-P energy: -70.738
bonds (distance) P-C4' energy: -82.229
flat angles C4'-P-C4' energy: -86.880
flat angles P-C4'-P energy: -63.110
tors. eta vs tors. theta energy: -115.220
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: 1
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1252.799737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.799737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.799737 (E_RNA)
where:
Base-Base interactions energy: -865.458
where: short stacking energy: -356.589
Base-Backbone interact. energy: -3.594
local terms energy: -383.747245
where:
bonds (distance) C4'-P energy: -71.945
bonds (distance) P-C4' energy: -68.730
flat angles C4'-P-C4' energy: -75.351
flat angles P-C4'-P energy: -58.057
tors. eta vs tors. theta energy: -109.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1254.431760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.431760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.431760 (E_RNA)
where:
Base-Base interactions energy: -848.820
where: short stacking energy: -375.787
Base-Backbone interact. energy: -0.573
local terms energy: -405.038867
where:
bonds (distance) C4'-P energy: -68.909
bonds (distance) P-C4' energy: -78.987
flat angles C4'-P-C4' energy: -84.021
flat angles P-C4'-P energy: -54.900
tors. eta vs tors. theta energy: -118.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1089.823019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.823019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.823019 (E_RNA)
where:
Base-Base interactions energy: -751.580
where: short stacking energy: -309.091
Base-Backbone interact. energy: -0.128
local terms energy: -338.114674
where:
bonds (distance) C4'-P energy: -58.623
bonds (distance) P-C4' energy: -62.058
flat angles C4'-P-C4' energy: -79.975
flat angles P-C4'-P energy: -59.036
tors. eta vs tors. theta energy: -78.424
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: 10
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -972.488993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.488993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.488993 (E_RNA)
where:
Base-Base interactions energy: -638.871
where: short stacking energy: -282.118
Base-Backbone interact. energy: -0.456
local terms energy: -333.161618
where:
bonds (distance) C4'-P energy: -62.510
bonds (distance) P-C4' energy: -69.275
flat angles C4'-P-C4' energy: -70.672
flat angles P-C4'-P energy: -46.029
tors. eta vs tors. theta energy: -84.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -886.323477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.323477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.323477 (E_RNA)
where:
Base-Base interactions energy: -542.590
where: short stacking energy: -246.496
Base-Backbone interact. energy: -2.141
local terms energy: -341.592368
where:
bonds (distance) C4'-P energy: -71.873
bonds (distance) P-C4' energy: -70.164
flat angles C4'-P-C4' energy: -70.068
flat angles P-C4'-P energy: -54.730
tors. eta vs tors. theta energy: -74.758
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: 7, replica: 3
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -827.892545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.892545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.892545 (E_RNA)
where:
Base-Base interactions energy: -518.564
where: short stacking energy: -244.830
Base-Backbone interact. energy: 1.226
local terms energy: -310.554143
where:
bonds (distance) C4'-P energy: -54.466
bonds (distance) P-C4' energy: -70.189
flat angles C4'-P-C4' energy: -68.104
flat angles P-C4'-P energy: -54.287
tors. eta vs tors. theta energy: -63.509
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: 6
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -508.059471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.059471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.059471 (E_RNA)
where:
Base-Base interactions energy: -257.435
where: short stacking energy: -115.608
Base-Backbone interact. energy: 0.840
local terms energy: -251.464607
where:
bonds (distance) C4'-P energy: -65.460
bonds (distance) P-C4' energy: -71.854
flat angles C4'-P-C4' energy: -64.750
flat angles P-C4'-P energy: -32.843
tors. eta vs tors. theta energy: -16.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -478.370211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.370211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.370211 (E_RNA)
where:
Base-Base interactions energy: -252.770
where: short stacking energy: -128.912
Base-Backbone interact. energy: 3.400
local terms energy: -229.000238
where:
bonds (distance) C4'-P energy: -60.537
bonds (distance) P-C4' energy: -65.265
flat angles C4'-P-C4' energy: -53.030
flat angles P-C4'-P energy: -44.644
tors. eta vs tors. theta energy: -5.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -457.806523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.806523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.806523 (E_RNA)
where:
Base-Base interactions energy: -256.638
where: short stacking energy: -139.342
Base-Backbone interact. energy: 2.998
local terms energy: -204.167378
where:
bonds (distance) C4'-P energy: -58.068
bonds (distance) P-C4' energy: -53.122
flat angles C4'-P-C4' energy: -40.990
flat angles P-C4'-P energy: -40.487
tors. eta vs tors. theta energy: -11.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1298.060997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.060997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.060997 (E_RNA)
where:
Base-Base interactions energy: -891.096
where: short stacking energy: -399.082
Base-Backbone interact. energy: -1.350
local terms energy: -405.614540
where:
bonds (distance) C4'-P energy: -77.564
bonds (distance) P-C4' energy: -69.512
flat angles C4'-P-C4' energy: -81.484
flat angles P-C4'-P energy: -59.889
tors. eta vs tors. theta energy: -117.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1243.343255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.343255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.343255 (E_RNA)
where:
Base-Base interactions energy: -848.607
where: short stacking energy: -355.800
Base-Backbone interact. energy: -2.630
local terms energy: -392.106159
where:
bonds (distance) C4'-P energy: -73.648
bonds (distance) P-C4' energy: -64.634
flat angles C4'-P-C4' energy: -82.345
flat angles P-C4'-P energy: -56.502
tors. eta vs tors. theta energy: -114.977
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: 9
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1252.335655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.335655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.335655 (E_RNA)
where:
Base-Base interactions energy: -848.169
where: short stacking energy: -366.076
Base-Backbone interact. energy: -1.078
local terms energy: -403.088758
where:
bonds (distance) C4'-P energy: -72.238
bonds (distance) P-C4' energy: -72.695
flat angles C4'-P-C4' energy: -82.817
flat angles P-C4'-P energy: -54.841
tors. eta vs tors. theta energy: -120.498
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: 7
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1097.884106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.884106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.884106 (E_RNA)
where:
Base-Base interactions energy: -736.707
where: short stacking energy: -304.533
Base-Backbone interact. energy: -1.772
local terms energy: -359.405267
where:
bonds (distance) C4'-P energy: -65.128
bonds (distance) P-C4' energy: -70.978
flat angles C4'-P-C4' energy: -80.894
flat angles P-C4'-P energy: -52.654
tors. eta vs tors. theta energy: -89.752
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: 10
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -994.830811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.830811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.830811 (E_RNA)
where:
Base-Base interactions energy: -645.499
where: short stacking energy: -284.227
Base-Backbone interact. energy: -0.947
local terms energy: -348.384443
where:
bonds (distance) C4'-P energy: -71.573
bonds (distance) P-C4' energy: -61.946
flat angles C4'-P-C4' energy: -68.318
flat angles P-C4'-P energy: -53.894
tors. eta vs tors. theta energy: -92.652
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: 5
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -890.054947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.054947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.054947 (E_RNA)
where:
Base-Base interactions energy: -573.822
where: short stacking energy: -272.899
Base-Backbone interact. energy: -0.916
local terms energy: -315.317375
where:
bonds (distance) C4'-P energy: -64.822
bonds (distance) P-C4' energy: -62.660
flat angles C4'-P-C4' energy: -66.744
flat angles P-C4'-P energy: -50.136
tors. eta vs tors. theta energy: -70.954
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: 3
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -815.234534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.234534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.234534 (E_RNA)
where:
Base-Base interactions energy: -525.950
where: short stacking energy: -239.234
Base-Backbone interact. energy: 1.340
local terms energy: -290.625275
where:
bonds (distance) C4'-P energy: -59.962
bonds (distance) P-C4' energy: -62.766
flat angles C4'-P-C4' energy: -64.879
flat angles P-C4'-P energy: -42.098
tors. eta vs tors. theta energy: -60.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -520.699736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.699736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.699736 (E_RNA)
where:
Base-Base interactions energy: -260.677
where: short stacking energy: -128.295
Base-Backbone interact. energy: -0.727
local terms energy: -259.295744
where:
bonds (distance) C4'-P energy: -64.503
bonds (distance) P-C4' energy: -68.089
flat angles C4'-P-C4' energy: -63.136
flat angles P-C4'-P energy: -48.356
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: 9, replica: 4
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -475.072548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.072548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.072548 (E_RNA)
where:
Base-Base interactions energy: -243.846
where: short stacking energy: -128.106
Base-Backbone interact. energy: -1.397
local terms energy: -229.828856
where:
bonds (distance) C4'-P energy: -55.078
bonds (distance) P-C4' energy: -58.755
flat angles C4'-P-C4' energy: -64.908
flat angles P-C4'-P energy: -44.180
tors. eta vs tors. theta energy: -6.908
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: 10, replica: 8
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -456.338386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.338386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.338386 (E_RNA)
where:
Base-Base interactions energy: -238.063
where: short stacking energy: -151.482
Base-Backbone interact. energy: -1.857
local terms energy: -216.418320
where:
bonds (distance) C4'-P energy: -43.858
bonds (distance) P-C4' energy: -68.070
flat angles C4'-P-C4' energy: -38.057
flat angles P-C4'-P energy: -42.449
tors. eta vs tors. theta energy: -23.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1309.913488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.913488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.913488 (E_RNA)
where:
Base-Base interactions energy: -892.987
where: short stacking energy: -382.923
Base-Backbone interact. energy: 1.717
local terms energy: -418.643194
where:
bonds (distance) C4'-P energy: -74.149
bonds (distance) P-C4' energy: -81.687
flat angles C4'-P-C4' energy: -84.734
flat angles P-C4'-P energy: -58.347
tors. eta vs tors. theta energy: -119.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1245.877955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.877955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.877955 (E_RNA)
where:
Base-Base interactions energy: -840.650
where: short stacking energy: -343.968
Base-Backbone interact. energy: -3.328
local terms energy: -401.900227
where:
bonds (distance) C4'-P energy: -75.336
bonds (distance) P-C4' energy: -75.070
flat angles C4'-P-C4' energy: -76.148
flat angles P-C4'-P energy: -66.598
tors. eta vs tors. theta energy: -108.748
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: 427
Temperature: 1.000000
Total energy: -1238.163644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.163644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.163644 (E_RNA)
where:
Base-Base interactions energy: -843.139
where: short stacking energy: -362.588
Base-Backbone interact. energy: 0.447
local terms energy: -395.470674
where:
bonds (distance) C4'-P energy: -64.177
bonds (distance) P-C4' energy: -70.838
flat angles C4'-P-C4' energy: -87.446
flat angles P-C4'-P energy: -50.246
tors. eta vs tors. theta energy: -122.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1084.042780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.042780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.042780 (E_RNA)
where:
Base-Base interactions energy: -732.737
where: short stacking energy: -301.530
Base-Backbone interact. energy: 0.078
local terms energy: -351.383992
where:
bonds (distance) C4'-P energy: -49.490
bonds (distance) P-C4' energy: -68.286
flat angles C4'-P-C4' energy: -78.806
flat angles P-C4'-P energy: -64.985
tors. eta vs tors. theta energy: -89.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -911.197803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.197803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.197803 (E_RNA)
where:
Base-Base interactions energy: -606.358
where: short stacking energy: -273.410
Base-Backbone interact. energy: 0.261
local terms energy: -305.101276
where:
bonds (distance) C4'-P energy: -58.892
bonds (distance) P-C4' energy: -71.298
flat angles C4'-P-C4' energy: -72.851
flat angles P-C4'-P energy: -31.356
tors. eta vs tors. theta energy: -70.704
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: 6, replica: 5
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -924.190116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.190116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.190116 (E_RNA)
where:
Base-Base interactions energy: -619.992
where: short stacking energy: -245.761
Base-Backbone interact. energy: 1.583
local terms energy: -305.781173
where:
bonds (distance) C4'-P energy: -53.266
bonds (distance) P-C4' energy: -68.568
flat angles C4'-P-C4' energy: -72.615
flat angles P-C4'-P energy: -44.758
tors. eta vs tors. theta energy: -66.575
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: 3
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -787.832855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.832855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.832855 (E_RNA)
where:
Base-Base interactions energy: -494.759
where: short stacking energy: -214.276
Base-Backbone interact. energy: 1.507
local terms energy: -294.581093
where:
bonds (distance) C4'-P energy: -70.470
bonds (distance) P-C4' energy: -61.837
flat angles C4'-P-C4' energy: -75.570
flat angles P-C4'-P energy: -35.735
tors. eta vs tors. theta energy: -50.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -500.480703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.480703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.480703 (E_RNA)
where:
Base-Base interactions energy: -272.479
where: short stacking energy: -147.895
Base-Backbone interact. energy: 0.480
local terms energy: -228.480980
where:
bonds (distance) C4'-P energy: -60.981
bonds (distance) P-C4' energy: -78.715
flat angles C4'-P-C4' energy: -47.693
flat angles P-C4'-P energy: -34.833
tors. eta vs tors. theta energy: -6.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -481.917007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.917007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.917007 (E_RNA)
where:
Base-Base interactions energy: -282.965
where: short stacking energy: -130.023
Base-Backbone interact. energy: -0.758
local terms energy: -198.194002
where:
bonds (distance) C4'-P energy: -58.334
bonds (distance) P-C4' energy: -71.334
flat angles C4'-P-C4' energy: -50.352
flat angles P-C4'-P energy: -25.204
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: 10, replica: 8
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -459.648037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.648037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.648037 (E_RNA)
where:
Base-Base interactions energy: -258.940
where: short stacking energy: -146.775
Base-Backbone interact. energy: -1.360
local terms energy: -199.348054
where:
bonds (distance) C4'-P energy: -57.430
bonds (distance) P-C4' energy: -58.568
flat angles C4'-P-C4' energy: -53.607
flat angles P-C4'-P energy: -24.495
tors. eta vs tors. theta energy: -5.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1320.411624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.411624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.411624 (E_RNA)
where:
Base-Base interactions energy: -895.222
where: short stacking energy: -374.267
Base-Backbone interact. energy: 0.648
local terms energy: -425.837248
where:
bonds (distance) C4'-P energy: -74.996
bonds (distance) P-C4' energy: -83.278
flat angles C4'-P-C4' energy: -87.263
flat angles P-C4'-P energy: -61.578
tors. eta vs tors. theta energy: -118.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1249.260871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.260871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.260871 (E_RNA)
where:
Base-Base interactions energy: -849.130
where: short stacking energy: -379.123
Base-Backbone interact. energy: -3.844
local terms energy: -396.287511
where:
bonds (distance) C4'-P energy: -74.426
bonds (distance) P-C4' energy: -60.364
flat angles C4'-P-C4' energy: -88.638
flat angles P-C4'-P energy: -57.508
tors. eta vs tors. theta energy: -115.352
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: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1240.332086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.332086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.332086 (E_RNA)
where:
Base-Base interactions energy: -844.432
where: short stacking energy: -376.277
Base-Backbone interact. energy: -0.198
local terms energy: -395.702770
where:
bonds (distance) C4'-P energy: -67.927
bonds (distance) P-C4' energy: -78.087
flat angles C4'-P-C4' energy: -81.937
flat angles P-C4'-P energy: -53.741
tors. eta vs tors. theta energy: -114.010
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: 7
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -1072.837787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.837787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.837787 (E_RNA)
where:
Base-Base interactions energy: -725.015
where: short stacking energy: -293.749
Base-Backbone interact. energy: -2.972
local terms energy: -344.850763
where:
bonds (distance) C4'-P energy: -73.410
bonds (distance) P-C4' energy: -68.841
flat angles C4'-P-C4' energy: -77.068
flat angles P-C4'-P energy: -50.651
tors. eta vs tors. theta energy: -74.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -959.128858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.128858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.128858 (E_RNA)
where:
Base-Base interactions energy: -640.975
where: short stacking energy: -283.629
Base-Backbone interact. energy: 0.562
local terms energy: -318.716049
where:
bonds (distance) C4'-P energy: -68.431
bonds (distance) P-C4' energy: -76.220
flat angles C4'-P-C4' energy: -56.902
flat angles P-C4'-P energy: -52.004
tors. eta vs tors. theta energy: -65.159
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: 10
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -887.048795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.048795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.048795 (E_RNA)
where:
Base-Base interactions energy: -569.863
where: short stacking energy: -246.526
Base-Backbone interact. energy: 3.315
local terms energy: -320.500565
where:
bonds (distance) C4'-P energy: -59.992
bonds (distance) P-C4' energy: -76.357
flat angles C4'-P-C4' energy: -74.714
flat angles P-C4'-P energy: -52.495
tors. eta vs tors. theta energy: -56.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -811.250749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.250749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.250749 (E_RNA)
where:
Base-Base interactions energy: -538.766
where: short stacking energy: -221.164
Base-Backbone interact. energy: 0.774
local terms energy: -273.259353
where:
bonds (distance) C4'-P energy: -66.250
bonds (distance) P-C4' energy: -64.454
flat angles C4'-P-C4' energy: -62.223
flat angles P-C4'-P energy: -34.950
tors. eta vs tors. theta energy: -45.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -527.053293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.053293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.053293 (E_RNA)
where:
Base-Base interactions energy: -295.932
where: short stacking energy: -158.705
Base-Backbone interact. energy: -0.829
local terms energy: -230.292309
where:
bonds (distance) C4'-P energy: -49.974
bonds (distance) P-C4' energy: -61.282
flat angles C4'-P-C4' energy: -59.997
flat angles P-C4'-P energy: -37.719
tors. eta vs tors. theta energy: -21.320
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: 9, replica: 4
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -485.137472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.137472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.137472 (E_RNA)
where:
Base-Base interactions energy: -246.679
where: short stacking energy: -124.348
Base-Backbone interact. energy: -1.032
local terms energy: -237.426383
where:
bonds (distance) C4'-P energy: -59.949
bonds (distance) P-C4' energy: -62.861
flat angles C4'-P-C4' energy: -63.047
flat angles P-C4'-P energy: -42.233
tors. eta vs tors. theta energy: -9.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -445.670225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.670225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.670225 (E_RNA)
where:
Base-Base interactions energy: -237.395
where: short stacking energy: -104.314
Base-Backbone interact. energy: 4.285
local terms energy: -212.559759
where:
bonds (distance) C4'-P energy: -57.058
bonds (distance) P-C4' energy: -64.409
flat angles C4'-P-C4' energy: -57.753
flat angles P-C4'-P energy: -36.597
tors. eta vs tors. theta energy: 3.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1323.707401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.707401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.707401 (E_RNA)
where:
Base-Base interactions energy: -919.184
where: short stacking energy: -397.972
Base-Backbone interact. energy: -0.100
local terms energy: -404.424033
where:
bonds (distance) C4'-P energy: -77.947
bonds (distance) P-C4' energy: -69.512
flat angles C4'-P-C4' energy: -80.996
flat angles P-C4'-P energy: -61.034
tors. eta vs tors. theta energy: -114.935
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: 1
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1234.732097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.732097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.732097 (E_RNA)
where:
Base-Base interactions energy: -834.711
where: short stacking energy: -339.286
Base-Backbone interact. energy: -2.634
local terms energy: -397.386278
where:
bonds (distance) C4'-P energy: -78.186
bonds (distance) P-C4' energy: -73.761
flat angles C4'-P-C4' energy: -81.278
flat angles P-C4'-P energy: -57.358
tors. eta vs tors. theta energy: -106.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1232.614842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.614842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.614842 (E_RNA)
where:
Base-Base interactions energy: -843.682
where: short stacking energy: -363.719
Base-Backbone interact. energy: -0.619
local terms energy: -388.314069
where:
bonds (distance) C4'-P energy: -69.362
bonds (distance) P-C4' energy: -72.030
flat angles C4'-P-C4' energy: -83.866
flat angles P-C4'-P energy: -53.731
tors. eta vs tors. theta energy: -109.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1074.475025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.475025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.475025 (E_RNA)
where:
Base-Base interactions energy: -743.737
where: short stacking energy: -305.985
Base-Backbone interact. energy: 3.221
local terms energy: -333.959324
where:
bonds (distance) C4'-P energy: -53.084
bonds (distance) P-C4' energy: -65.173
flat angles C4'-P-C4' energy: -81.210
flat angles P-C4'-P energy: -45.125
tors. eta vs tors. theta energy: -89.368
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: 429
Temperature: 1.100000
Total energy: -961.081094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.081094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.081094 (E_RNA)
where:
Base-Base interactions energy: -634.389
where: short stacking energy: -266.474
Base-Backbone interact. energy: -1.395
local terms energy: -325.297467
where:
bonds (distance) C4'-P energy: -68.557
bonds (distance) P-C4' energy: -63.455
flat angles C4'-P-C4' energy: -75.140
flat angles P-C4'-P energy: -49.910
tors. eta vs tors. theta energy: -68.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -921.426404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.426404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.426404 (E_RNA)
where:
Base-Base interactions energy: -628.859
where: short stacking energy: -263.155
Base-Backbone interact. energy: 0.308
local terms energy: -292.875812
where:
bonds (distance) C4'-P energy: -63.354
bonds (distance) P-C4' energy: -65.351
flat angles C4'-P-C4' energy: -59.791
flat angles P-C4'-P energy: -41.906
tors. eta vs tors. theta energy: -62.474
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: 3
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -834.959125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.959125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.959125 (E_RNA)
where:
Base-Base interactions energy: -556.130
where: short stacking energy: -240.633
Base-Backbone interact. energy: 0.145
local terms energy: -278.974143
where:
bonds (distance) C4'-P energy: -61.443
bonds (distance) P-C4' energy: -64.366
flat angles C4'-P-C4' energy: -57.750
flat angles P-C4'-P energy: -43.139
tors. eta vs tors. theta energy: -52.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -513.506195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.506195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.506195 (E_RNA)
where:
Base-Base interactions energy: -277.200
where: short stacking energy: -143.332
Base-Backbone interact. energy: -3.571
local terms energy: -232.734814
where:
bonds (distance) C4'-P energy: -52.288
bonds (distance) P-C4' energy: -67.334
flat angles C4'-P-C4' energy: -55.325
flat angles P-C4'-P energy: -44.022
tors. eta vs tors. theta energy: -13.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -467.493796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.493796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.493796 (E_RNA)
where:
Base-Base interactions energy: -238.472
where: short stacking energy: -120.784
Base-Backbone interact. energy: 0.317
local terms energy: -229.338564
where:
bonds (distance) C4'-P energy: -58.838
bonds (distance) P-C4' energy: -59.395
flat angles C4'-P-C4' energy: -60.977
flat angles P-C4'-P energy: -43.174
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: 10, replica: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -436.618217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.618217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.618217 (E_RNA)
where:
Base-Base interactions energy: -203.983
where: short stacking energy: -117.680
Base-Backbone interact. energy: -1.537
local terms energy: -231.098868
where:
bonds (distance) C4'-P energy: -60.549
bonds (distance) P-C4' energy: -68.684
flat angles C4'-P-C4' energy: -60.816
flat angles P-C4'-P energy: -38.287
tors. eta vs tors. theta energy: -2.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1319.813719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.813719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.813719 (E_RNA)
where:
Base-Base interactions energy: -905.174
where: short stacking energy: -387.402
Base-Backbone interact. energy: 1.400
local terms energy: -416.040153
where:
bonds (distance) C4'-P energy: -74.294
bonds (distance) P-C4' energy: -80.750
flat angles C4'-P-C4' energy: -79.388
flat angles P-C4'-P energy: -67.171
tors. eta vs tors. theta energy: -114.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1257.967436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.967436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.967436 (E_RNA)
where:
Base-Base interactions energy: -876.829
where: short stacking energy: -379.852
Base-Backbone interact. energy: -2.910
local terms energy: -378.229058
where:
bonds (distance) C4'-P energy: -69.232
bonds (distance) P-C4' energy: -73.314
flat angles C4'-P-C4' energy: -72.059
flat angles P-C4'-P energy: -53.681
tors. eta vs tors. theta energy: -109.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1236.089755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.089755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.089755 (E_RNA)
where:
Base-Base interactions energy: -830.905
where: short stacking energy: -372.349
Base-Backbone interact. energy: -0.724
local terms energy: -404.461222
where:
bonds (distance) C4'-P energy: -72.647
bonds (distance) P-C4' energy: -79.495
flat angles C4'-P-C4' energy: -78.832
flat angles P-C4'-P energy: -57.805
tors. eta vs tors. theta energy: -115.682
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: 7
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1093.196834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.196834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.196834 (E_RNA)
where:
Base-Base interactions energy: -750.410
where: short stacking energy: -297.473
Base-Backbone interact. energy: 0.104
local terms energy: -342.890647
where:
bonds (distance) C4'-P energy: -72.909
bonds (distance) P-C4' energy: -55.155
flat angles C4'-P-C4' energy: -83.482
flat angles P-C4'-P energy: -51.761
tors. eta vs tors. theta energy: -79.584
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: 5
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -927.020820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.020820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.020820 (E_RNA)
where:
Base-Base interactions energy: -610.687
where: short stacking energy: -276.715
Base-Backbone interact. energy: -1.365
local terms energy: -314.968655
where:
bonds (distance) C4'-P energy: -67.747
bonds (distance) P-C4' energy: -61.972
flat angles C4'-P-C4' energy: -71.570
flat angles P-C4'-P energy: -39.773
tors. eta vs tors. theta energy: -73.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -878.997854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.997854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.997854 (E_RNA)
where:
Base-Base interactions energy: -567.865
where: short stacking energy: -245.864
Base-Backbone interact. energy: -1.023
local terms energy: -310.109739
where:
bonds (distance) C4'-P energy: -74.237
bonds (distance) P-C4' energy: -71.825
flat angles C4'-P-C4' energy: -62.607
flat angles P-C4'-P energy: -49.334
tors. eta vs tors. theta energy: -52.106
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: 3
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -774.397052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.397052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.397052 (E_RNA)
where:
Base-Base interactions energy: -491.671
where: short stacking energy: -199.853
Base-Backbone interact. energy: -0.094
local terms energy: -282.632098
where:
bonds (distance) C4'-P energy: -66.724
bonds (distance) P-C4' energy: -64.201
flat angles C4'-P-C4' energy: -65.239
flat angles P-C4'-P energy: -49.006
tors. eta vs tors. theta energy: -37.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -533.557343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.557343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.557343 (E_RNA)
where:
Base-Base interactions energy: -317.270
where: short stacking energy: -162.651
Base-Backbone interact. energy: -0.554
local terms energy: -215.733286
where:
bonds (distance) C4'-P energy: -60.018
bonds (distance) P-C4' energy: -53.350
flat angles C4'-P-C4' energy: -59.142
flat angles P-C4'-P energy: -31.219
tors. eta vs tors. theta energy: -12.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -481.730855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.730855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.730855 (E_RNA)
where:
Base-Base interactions energy: -240.170
where: short stacking energy: -136.307
Base-Backbone interact. energy: 1.337
local terms energy: -242.897698
where:
bonds (distance) C4'-P energy: -69.109
bonds (distance) P-C4' energy: -70.607
flat angles C4'-P-C4' energy: -61.158
flat angles P-C4'-P energy: -25.944
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: 10, replica: 8
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -449.657300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.657300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.657300 (E_RNA)
where:
Base-Base interactions energy: -231.522
where: short stacking energy: -119.885
Base-Backbone interact. energy: 1.182
local terms energy: -219.316633
where:
bonds (distance) C4'-P energy: -58.232
bonds (distance) P-C4' energy: -54.051
flat angles C4'-P-C4' energy: -64.588
flat angles P-C4'-P energy: -46.996
tors. eta vs tors. theta energy: 4.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1332.129148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.129148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.129148 (E_RNA)
where:
Base-Base interactions energy: -914.275
where: short stacking energy: -403.235
Base-Backbone interact. energy: 2.824
local terms energy: -420.678223
where:
bonds (distance) C4'-P energy: -72.227
bonds (distance) P-C4' energy: -79.075
flat angles C4'-P-C4' energy: -89.753
flat angles P-C4'-P energy: -55.686
tors. eta vs tors. theta energy: -123.938
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: 9
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1250.358449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.358449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.358449 (E_RNA)
where:
Base-Base interactions energy: -857.978
where: short stacking energy: -386.331
Base-Backbone interact. energy: -1.598
local terms energy: -390.781989
where:
bonds (distance) C4'-P energy: -60.452
bonds (distance) P-C4' energy: -75.002
flat angles C4'-P-C4' energy: -83.977
flat angles P-C4'-P energy: -55.715
tors. eta vs tors. theta energy: -115.637
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: 1
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1233.183171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.183171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.183171 (E_RNA)
where:
Base-Base interactions energy: -839.392
where: short stacking energy: -349.999
Base-Backbone interact. energy: -0.879
local terms energy: -392.912804
where:
bonds (distance) C4'-P energy: -66.521
bonds (distance) P-C4' energy: -75.962
flat angles C4'-P-C4' energy: -80.010
flat angles P-C4'-P energy: -53.886
tors. eta vs tors. theta energy: -116.533
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: 7
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1095.518424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.518424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.518424 (E_RNA)
where:
Base-Base interactions energy: -741.535
where: short stacking energy: -307.212
Base-Backbone interact. energy: -1.111
local terms energy: -352.872670
where:
bonds (distance) C4'-P energy: -58.078
bonds (distance) P-C4' energy: -76.779
flat angles C4'-P-C4' energy: -76.893
flat angles P-C4'-P energy: -50.979
tors. eta vs tors. theta energy: -90.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -951.998507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.998507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.998507 (E_RNA)
where:
Base-Base interactions energy: -626.134
where: short stacking energy: -273.439
Base-Backbone interact. energy: 0.385
local terms energy: -326.249466
where:
bonds (distance) C4'-P energy: -55.869
bonds (distance) P-C4' energy: -70.466
flat angles C4'-P-C4' energy: -71.832
flat angles P-C4'-P energy: -52.424
tors. eta vs tors. theta energy: -75.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -886.473749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.473749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.473749 (E_RNA)
where:
Base-Base interactions energy: -560.527
where: short stacking energy: -251.907
Base-Backbone interact. energy: -1.075
local terms energy: -324.871267
where:
bonds (distance) C4'-P energy: -59.910
bonds (distance) P-C4' energy: -68.305
flat angles C4'-P-C4' energy: -70.730
flat angles P-C4'-P energy: -58.943
tors. eta vs tors. theta energy: -66.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -779.506373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.506373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.506373 (E_RNA)
where:
Base-Base interactions energy: -487.106
where: short stacking energy: -215.094
Base-Backbone interact. energy: -1.939
local terms energy: -290.461275
where:
bonds (distance) C4'-P energy: -72.035
bonds (distance) P-C4' energy: -69.574
flat angles C4'-P-C4' energy: -55.036
flat angles P-C4'-P energy: -37.208
tors. eta vs tors. theta energy: -56.608
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: 4
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -508.620253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.620253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.620253 (E_RNA)
where:
Base-Base interactions energy: -283.898
where: short stacking energy: -133.469
Base-Backbone interact. energy: 2.659
local terms energy: -227.381288
where:
bonds (distance) C4'-P energy: -57.802
bonds (distance) P-C4' energy: -61.254
flat angles C4'-P-C4' energy: -63.442
flat angles P-C4'-P energy: -38.558
tors. eta vs tors. theta energy: -6.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -481.385077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.385077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.385077 (E_RNA)
where:
Base-Base interactions energy: -257.204
where: short stacking energy: -127.642
Base-Backbone interact. energy: -3.348
local terms energy: -220.833006
where:
bonds (distance) C4'-P energy: -60.962
bonds (distance) P-C4' energy: -58.832
flat angles C4'-P-C4' energy: -64.424
flat angles P-C4'-P energy: -43.327
tors. eta vs tors. theta energy: 6.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -465.674660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.674660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.674660 (E_RNA)
where:
Base-Base interactions energy: -241.753
where: short stacking energy: -144.349
Base-Backbone interact. energy: -1.657
local terms energy: -222.265254
where:
bonds (distance) C4'-P energy: -64.555
bonds (distance) P-C4' energy: -51.674
flat angles C4'-P-C4' energy: -54.450
flat angles P-C4'-P energy: -35.576
tors. eta vs tors. theta energy: -16.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1327.841192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.841192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.841192 (E_RNA)
where:
Base-Base interactions energy: -911.450
where: short stacking energy: -392.113
Base-Backbone interact. energy: -1.061
local terms energy: -415.329600
where:
bonds (distance) C4'-P energy: -76.420
bonds (distance) P-C4' energy: -73.589
flat angles C4'-P-C4' energy: -85.936
flat angles P-C4'-P energy: -60.012
tors. eta vs tors. theta energy: -119.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1234.740833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.740833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.740833 (E_RNA)
where:
Base-Base interactions energy: -822.352
where: short stacking energy: -356.748
Base-Backbone interact. energy: -1.163
local terms energy: -411.225622
where:
bonds (distance) C4'-P energy: -80.282
bonds (distance) P-C4' energy: -74.391
flat angles C4'-P-C4' energy: -87.895
flat angles P-C4'-P energy: -63.667
tors. eta vs tors. theta energy: -104.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -1252.394444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.394444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.394444 (E_RNA)
where:
Base-Base interactions energy: -859.549
where: short stacking energy: -369.696
Base-Backbone interact. energy: -4.766
local terms energy: -388.080006
where:
bonds (distance) C4'-P energy: -62.989
bonds (distance) P-C4' energy: -67.477
flat angles C4'-P-C4' energy: -84.884
flat angles P-C4'-P energy: -57.981
tors. eta vs tors. theta energy: -114.749
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: 7
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1090.769637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.769637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.769637 (E_RNA)
where:
Base-Base interactions energy: -757.574
where: short stacking energy: -310.101
Base-Backbone interact. energy: 1.358
local terms energy: -334.553560
where:
bonds (distance) C4'-P energy: -70.636
bonds (distance) P-C4' energy: -60.051
flat angles C4'-P-C4' energy: -67.343
flat angles P-C4'-P energy: -51.560
tors. eta vs tors. theta energy: -84.964
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: 432
Temperature: 1.100000
Total energy: -985.289759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.289759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.289759 (E_RNA)
where:
Base-Base interactions energy: -676.326
where: short stacking energy: -298.751
Base-Backbone interact. energy: -1.150
local terms energy: -307.813553
where:
bonds (distance) C4'-P energy: -75.300
bonds (distance) P-C4' energy: -64.774
flat angles C4'-P-C4' energy: -66.864
flat angles P-C4'-P energy: -29.039
tors. eta vs tors. theta energy: -71.838
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: 432
Temperature: 1.150000
Total energy: -905.762495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.762495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.762495 (E_RNA)
where:
Base-Base interactions energy: -575.695
where: short stacking energy: -254.597
Base-Backbone interact. energy: -0.800
local terms energy: -329.266743
where:
bonds (distance) C4'-P energy: -63.494
bonds (distance) P-C4' energy: -77.693
flat angles C4'-P-C4' energy: -65.012
flat angles P-C4'-P energy: -45.965
tors. eta vs tors. theta energy: -77.102
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: 3
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -760.624503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.624503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.624503 (E_RNA)
where:
Base-Base interactions energy: -479.155
where: short stacking energy: -208.061
Base-Backbone interact. energy: -1.075
local terms energy: -280.393846
where:
bonds (distance) C4'-P energy: -59.233
bonds (distance) P-C4' energy: -71.412
flat angles C4'-P-C4' energy: -53.018
flat angles P-C4'-P energy: -32.504
tors. eta vs tors. theta energy: -64.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -528.539431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.539431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.539431 (E_RNA)
where:
Base-Base interactions energy: -296.242
where: short stacking energy: -155.977
Base-Backbone interact. energy: -1.387
local terms energy: -230.910206
where:
bonds (distance) C4'-P energy: -56.753
bonds (distance) P-C4' energy: -62.688
flat angles C4'-P-C4' energy: -56.757
flat angles P-C4'-P energy: -34.138
tors. eta vs tors. theta energy: -20.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -501.766059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.766059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.766059 (E_RNA)
where:
Base-Base interactions energy: -289.982
where: short stacking energy: -140.556
Base-Backbone interact. energy: -0.570
local terms energy: -211.213325
where:
bonds (distance) C4'-P energy: -60.895
bonds (distance) P-C4' energy: -45.421
flat angles C4'-P-C4' energy: -64.360
flat angles P-C4'-P energy: -27.219
tors. eta vs tors. theta energy: -13.319
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: 6
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -453.468903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.468903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.468903 (E_RNA)
where:
Base-Base interactions energy: -242.807
where: short stacking energy: -111.149
Base-Backbone interact. energy: 0.760
local terms energy: -211.421908
where:
bonds (distance) C4'-P energy: -55.888
bonds (distance) P-C4' energy: -66.106
flat angles C4'-P-C4' energy: -57.470
flat angles P-C4'-P energy: -30.801
tors. eta vs tors. theta energy: -1.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1314.288843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.288843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.288843 (E_RNA)
where:
Base-Base interactions energy: -901.627
where: short stacking energy: -381.544
Base-Backbone interact. energy: 1.657
local terms energy: -414.319146
where:
bonds (distance) C4'-P energy: -72.201
bonds (distance) P-C4' energy: -70.833
flat angles C4'-P-C4' energy: -92.442
flat angles P-C4'-P energy: -57.335
tors. eta vs tors. theta energy: -121.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1229.777386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.777386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.777386 (E_RNA)
where:
Base-Base interactions energy: -845.562
where: short stacking energy: -378.657
Base-Backbone interact. energy: -0.235
local terms energy: -383.980489
where:
bonds (distance) C4'-P energy: -70.806
bonds (distance) P-C4' energy: -76.873
flat angles C4'-P-C4' energy: -84.291
flat angles P-C4'-P energy: -43.101
tors. eta vs tors. theta energy: -108.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1218.005498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.005498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.005498 (E_RNA)
where:
Base-Base interactions energy: -822.366
where: short stacking energy: -360.327
Base-Backbone interact. energy: -4.338
local terms energy: -391.301581
where:
bonds (distance) C4'-P energy: -62.962
bonds (distance) P-C4' energy: -73.145
flat angles C4'-P-C4' energy: -79.588
flat angles P-C4'-P energy: -64.447
tors. eta vs tors. theta energy: -111.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1083.260513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.260513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.260513 (E_RNA)
where:
Base-Base interactions energy: -739.301
where: short stacking energy: -284.803
Base-Backbone interact. energy: -1.510
local terms energy: -342.449322
where:
bonds (distance) C4'-P energy: -64.777
bonds (distance) P-C4' energy: -69.501
flat angles C4'-P-C4' energy: -78.910
flat angles P-C4'-P energy: -55.655
tors. eta vs tors. theta energy: -73.606
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: 5
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -938.710852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.710852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.710852 (E_RNA)
where:
Base-Base interactions energy: -583.894
where: short stacking energy: -256.574
Base-Backbone interact. energy: -1.619
local terms energy: -353.197667
where:
bonds (distance) C4'-P energy: -65.553
bonds (distance) P-C4' energy: -78.064
flat angles C4'-P-C4' energy: -72.979
flat angles P-C4'-P energy: -58.835
tors. eta vs tors. theta energy: -77.766
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: 10
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -857.343603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.343603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.343603 (E_RNA)
where:
Base-Base interactions energy: -551.007
where: short stacking energy: -240.706
Base-Backbone interact. energy: 0.190
local terms energy: -306.526487
where:
bonds (distance) C4'-P energy: -54.880
bonds (distance) P-C4' energy: -56.004
flat angles C4'-P-C4' energy: -76.365
flat angles P-C4'-P energy: -43.828
tors. eta vs tors. theta energy: -75.450
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: 3
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -795.406026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.406026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.406026 (E_RNA)
where:
Base-Base interactions energy: -512.353
where: short stacking energy: -222.170
Base-Backbone interact. energy: -0.616
local terms energy: -282.436874
where:
bonds (distance) C4'-P energy: -58.872
bonds (distance) P-C4' energy: -69.739
flat angles C4'-P-C4' energy: -72.337
flat angles P-C4'-P energy: -30.702
tors. eta vs tors. theta energy: -50.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -504.921400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.921400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.921400 (E_RNA)
where:
Base-Base interactions energy: -279.939
where: short stacking energy: -114.854
Base-Backbone interact. energy: 5.525
local terms energy: -230.507862
where:
bonds (distance) C4'-P energy: -60.019
bonds (distance) P-C4' energy: -72.394
flat angles C4'-P-C4' energy: -63.002
flat angles P-C4'-P energy: -34.742
tors. eta vs tors. theta energy: -0.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -499.406926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.406926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.406926 (E_RNA)
where:
Base-Base interactions energy: -270.577
where: short stacking energy: -149.502
Base-Backbone interact. energy: -2.476
local terms energy: -226.353364
where:
bonds (distance) C4'-P energy: -56.010
bonds (distance) P-C4' energy: -55.657
flat angles C4'-P-C4' energy: -66.309
flat angles P-C4'-P energy: -22.105
tors. eta vs tors. theta energy: -26.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -437.034655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.034655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.034655 (E_RNA)
where:
Base-Base interactions energy: -241.587
where: short stacking energy: -129.454
Base-Backbone interact. energy: 4.414
local terms energy: -199.861836
where:
bonds (distance) C4'-P energy: -57.940
bonds (distance) P-C4' energy: -57.308
flat angles C4'-P-C4' energy: -51.949
flat angles P-C4'-P energy: -21.183
tors. eta vs tors. theta energy: -11.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1330.341130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.341130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.341130 (E_RNA)
where:
Base-Base interactions energy: -905.112
where: short stacking energy: -409.535
Base-Backbone interact. energy: 1.371
local terms energy: -426.600231
where:
bonds (distance) C4'-P energy: -83.956
bonds (distance) P-C4' energy: -72.743
flat angles C4'-P-C4' energy: -87.749
flat angles P-C4'-P energy: -63.648
tors. eta vs tors. theta energy: -118.504
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: 434
Temperature: 0.950000
Total energy: -1234.638348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.638348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.638348 (E_RNA)
where:
Base-Base interactions energy: -826.492
where: short stacking energy: -366.080
Base-Backbone interact. energy: -0.982
local terms energy: -407.164744
where:
bonds (distance) C4'-P energy: -70.056
bonds (distance) P-C4' energy: -76.453
flat angles C4'-P-C4' energy: -84.805
flat angles P-C4'-P energy: -56.834
tors. eta vs tors. theta energy: -119.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1222.683472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.683472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.683472 (E_RNA)
where:
Base-Base interactions energy: -830.196
where: short stacking energy: -345.656
Base-Backbone interact. energy: -3.097
local terms energy: -389.391127
where:
bonds (distance) C4'-P energy: -65.167
bonds (distance) P-C4' energy: -74.362
flat angles C4'-P-C4' energy: -86.839
flat angles P-C4'-P energy: -52.498
tors. eta vs tors. theta energy: -110.525
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: 7
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -1068.181857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.181857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.181857 (E_RNA)
where:
Base-Base interactions energy: -740.917
where: short stacking energy: -299.686
Base-Backbone interact. energy: -1.501
local terms energy: -325.763734
where:
bonds (distance) C4'-P energy: -65.373
bonds (distance) P-C4' energy: -55.799
flat angles C4'-P-C4' energy: -74.409
flat angles P-C4'-P energy: -47.405
tors. eta vs tors. theta energy: -82.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -930.956744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.956744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.956744 (E_RNA)
where:
Base-Base interactions energy: -610.150
where: short stacking energy: -245.891
Base-Backbone interact. energy: -1.387
local terms energy: -319.418808
where:
bonds (distance) C4'-P energy: -64.082
bonds (distance) P-C4' energy: -69.388
flat angles C4'-P-C4' energy: -80.426
flat angles P-C4'-P energy: -41.676
tors. eta vs tors. theta energy: -63.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -845.388896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.388896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.388896 (E_RNA)
where:
Base-Base interactions energy: -541.009
where: short stacking energy: -239.339
Base-Backbone interact. energy: 1.363
local terms energy: -305.742818
where:
bonds (distance) C4'-P energy: -53.754
bonds (distance) P-C4' energy: -60.252
flat angles C4'-P-C4' energy: -79.056
flat angles P-C4'-P energy: -47.852
tors. eta vs tors. theta energy: -64.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -827.999023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.999023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.999023 (E_RNA)
where:
Base-Base interactions energy: -539.158
where: short stacking energy: -212.660
Base-Backbone interact. energy: -3.147
local terms energy: -285.694332
where:
bonds (distance) C4'-P energy: -64.318
bonds (distance) P-C4' energy: -55.351
flat angles C4'-P-C4' energy: -67.493
flat angles P-C4'-P energy: -47.831
tors. eta vs tors. theta energy: -50.702
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: 8
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -523.382825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.382825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.382825 (E_RNA)
where:
Base-Base interactions energy: -269.180
where: short stacking energy: -131.243
Base-Backbone interact. energy: -0.830
local terms energy: -253.372959
where:
bonds (distance) C4'-P energy: -63.739
bonds (distance) P-C4' energy: -70.703
flat angles C4'-P-C4' energy: -63.370
flat angles P-C4'-P energy: -39.950
tors. eta vs tors. theta energy: -15.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -480.713813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.713813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.713813 (E_RNA)
where:
Base-Base interactions energy: -263.742
where: short stacking energy: -141.456
Base-Backbone interact. energy: -0.889
local terms energy: -216.083568
where:
bonds (distance) C4'-P energy: -65.953
bonds (distance) P-C4' energy: -62.152
flat angles C4'-P-C4' energy: -56.701
flat angles P-C4'-P energy: -25.748
tors. eta vs tors. theta energy: -5.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -451.387772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.387772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.387772 (E_RNA)
where:
Base-Base interactions energy: -224.797
where: short stacking energy: -127.782
Base-Backbone interact. energy: -3.548
local terms energy: -223.042939
where:
bonds (distance) C4'-P energy: -63.508
bonds (distance) P-C4' energy: -59.094
flat angles C4'-P-C4' energy: -61.590
flat angles P-C4'-P energy: -38.278
tors. eta vs tors. theta energy: -0.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1322.618203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.618203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.618203 (E_RNA)
where:
Base-Base interactions energy: -903.597
where: short stacking energy: -395.172
Base-Backbone interact. energy: -2.343
local terms energy: -416.678853
where:
bonds (distance) C4'-P energy: -71.975
bonds (distance) P-C4' energy: -78.576
flat angles C4'-P-C4' energy: -83.544
flat angles P-C4'-P energy: -60.840
tors. eta vs tors. theta energy: -121.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1258.717069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.717069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.717069 (E_RNA)
where:
Base-Base interactions energy: -854.757
where: short stacking energy: -371.710
Base-Backbone interact. energy: -1.482
local terms energy: -402.478685
where:
bonds (distance) C4'-P energy: -69.631
bonds (distance) P-C4' energy: -73.516
flat angles C4'-P-C4' energy: -86.528
flat angles P-C4'-P energy: -53.616
tors. eta vs tors. theta energy: -119.188
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: 1
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1217.065239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.065239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.065239 (E_RNA)
where:
Base-Base interactions energy: -842.889
where: short stacking energy: -347.187
Base-Backbone interact. energy: -3.586
local terms energy: -370.590451
where:
bonds (distance) C4'-P energy: -75.365
bonds (distance) P-C4' energy: -59.506
flat angles C4'-P-C4' energy: -77.813
flat angles P-C4'-P energy: -46.458
tors. eta vs tors. theta energy: -111.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1087.870170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.870170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.870170 (E_RNA)
where:
Base-Base interactions energy: -734.386
where: short stacking energy: -295.024
Base-Backbone interact. energy: -2.438
local terms energy: -351.046281
where:
bonds (distance) C4'-P energy: -72.911
bonds (distance) P-C4' energy: -76.228
flat angles C4'-P-C4' energy: -72.198
flat angles P-C4'-P energy: -53.422
tors. eta vs tors. theta energy: -76.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -956.985841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.985841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.985841 (E_RNA)
where:
Base-Base interactions energy: -642.235
where: short stacking energy: -271.517
Base-Backbone interact. energy: -1.766
local terms energy: -312.984112
where:
bonds (distance) C4'-P energy: -60.092
bonds (distance) P-C4' energy: -55.495
flat angles C4'-P-C4' energy: -66.412
flat angles P-C4'-P energy: -56.308
tors. eta vs tors. theta energy: -74.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -850.606450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.606450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.606450 (E_RNA)
where:
Base-Base interactions energy: -545.236
where: short stacking energy: -237.645
Base-Backbone interact. energy: -1.052
local terms energy: -304.318980
where:
bonds (distance) C4'-P energy: -72.034
bonds (distance) P-C4' energy: -65.385
flat angles C4'-P-C4' energy: -71.694
flat angles P-C4'-P energy: -38.104
tors. eta vs tors. theta energy: -57.102
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: 3
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -748.778788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.778788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.778788 (E_RNA)
where:
Base-Base interactions energy: -493.328
where: short stacking energy: -231.545
Base-Backbone interact. energy: -3.499
local terms energy: -251.952359
where:
bonds (distance) C4'-P energy: -48.887
bonds (distance) P-C4' energy: -54.015
flat angles C4'-P-C4' energy: -64.802
flat angles P-C4'-P energy: -39.927
tors. eta vs tors. theta energy: -44.323
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: 8
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -505.566183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.566183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.566183 (E_RNA)
where:
Base-Base interactions energy: -271.664
where: short stacking energy: -154.845
Base-Backbone interact. energy: 2.974
local terms energy: -236.876231
where:
bonds (distance) C4'-P energy: -62.782
bonds (distance) P-C4' energy: -53.733
flat angles C4'-P-C4' energy: -51.412
flat angles P-C4'-P energy: -48.536
tors. eta vs tors. theta energy: -20.413
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: 6
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -493.271484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.271484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.271484 (E_RNA)
where:
Base-Base interactions energy: -255.225
where: short stacking energy: -142.466
Base-Backbone interact. energy: 2.214
local terms energy: -240.260604
where:
bonds (distance) C4'-P energy: -64.714
bonds (distance) P-C4' energy: -57.150
flat angles C4'-P-C4' energy: -65.600
flat angles P-C4'-P energy: -45.440
tors. eta vs tors. theta energy: -7.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -405.522610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.522610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.522610 (E_RNA)
where:
Base-Base interactions energy: -173.407
where: short stacking energy: -123.370
Base-Backbone interact. energy: 3.884
local terms energy: -235.999266
where:
bonds (distance) C4'-P energy: -69.154
bonds (distance) P-C4' energy: -62.665
flat angles C4'-P-C4' energy: -66.729
flat angles P-C4'-P energy: -32.019
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: 1, replica: 2
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1326.138124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.138124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.138124 (E_RNA)
where:
Base-Base interactions energy: -915.012
where: short stacking energy: -375.160
Base-Backbone interact. energy: -1.777
local terms energy: -409.349275
where:
bonds (distance) C4'-P energy: -71.172
bonds (distance) P-C4' energy: -62.742
flat angles C4'-P-C4' energy: -85.675
flat angles P-C4'-P energy: -62.104
tors. eta vs tors. theta energy: -127.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1269.539652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.539652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.539652 (E_RNA)
where:
Base-Base interactions energy: -877.596
where: short stacking energy: -391.288
Base-Backbone interact. energy: -0.833
local terms energy: -391.110572
where:
bonds (distance) C4'-P energy: -64.675
bonds (distance) P-C4' energy: -78.844
flat angles C4'-P-C4' energy: -83.316
flat angles P-C4'-P energy: -52.571
tors. eta vs tors. theta energy: -111.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1228.725225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.725225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.725225 (E_RNA)
where:
Base-Base interactions energy: -846.472
where: short stacking energy: -352.661
Base-Backbone interact. energy: -4.549
local terms energy: -377.704454
where:
bonds (distance) C4'-P energy: -60.510
bonds (distance) P-C4' energy: -70.616
flat angles C4'-P-C4' energy: -75.383
flat angles P-C4'-P energy: -63.259
tors. eta vs tors. theta energy: -107.936
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: 7
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1100.545746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.545746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.545746 (E_RNA)
where:
Base-Base interactions energy: -750.251
where: short stacking energy: -307.883
Base-Backbone interact. energy: -2.030
local terms energy: -348.264280
where:
bonds (distance) C4'-P energy: -73.903
bonds (distance) P-C4' energy: -64.082
flat angles C4'-P-C4' energy: -65.301
flat angles P-C4'-P energy: -47.953
tors. eta vs tors. theta energy: -97.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -965.350756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.350756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.350756 (E_RNA)
where:
Base-Base interactions energy: -637.389
where: short stacking energy: -271.369
Base-Backbone interact. energy: -1.573
local terms energy: -326.388460
where:
bonds (distance) C4'-P energy: -60.597
bonds (distance) P-C4' energy: -71.265
flat angles C4'-P-C4' energy: -78.801
flat angles P-C4'-P energy: -47.098
tors. eta vs tors. theta energy: -68.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -865.743941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.743941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.743941 (E_RNA)
where:
Base-Base interactions energy: -567.702
where: short stacking energy: -232.368
Base-Backbone interact. energy: 0.650
local terms energy: -298.692057
where:
bonds (distance) C4'-P energy: -60.634
bonds (distance) P-C4' energy: -65.436
flat angles C4'-P-C4' energy: -73.027
flat angles P-C4'-P energy: -44.277
tors. eta vs tors. theta energy: -55.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -810.966126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.966126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.966126 (E_RNA)
where:
Base-Base interactions energy: -528.731
where: short stacking energy: -222.952
Base-Backbone interact. energy: -0.714
local terms energy: -281.520751
where:
bonds (distance) C4'-P energy: -57.790
bonds (distance) P-C4' energy: -68.933
flat angles C4'-P-C4' energy: -62.660
flat angles P-C4'-P energy: -40.121
tors. eta vs tors. theta energy: -52.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -494.941016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.941016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.941016 (E_RNA)
where:
Base-Base interactions energy: -261.002
where: short stacking energy: -139.908
Base-Backbone interact. energy: -0.332
local terms energy: -233.607187
where:
bonds (distance) C4'-P energy: -53.275
bonds (distance) P-C4' energy: -74.786
flat angles C4'-P-C4' energy: -54.023
flat angles P-C4'-P energy: -39.277
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: 9, replica: 6
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -498.241677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.241677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.241677 (E_RNA)
where:
Base-Base interactions energy: -279.139
where: short stacking energy: -150.260
Base-Backbone interact. energy: -0.480
local terms energy: -218.621979
where:
bonds (distance) C4'-P energy: -61.991
bonds (distance) P-C4' energy: -64.985
flat angles C4'-P-C4' energy: -44.827
flat angles P-C4'-P energy: -28.027
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: 10, replica: 4
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -449.883063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.883063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.883063 (E_RNA)
where:
Base-Base interactions energy: -242.612
where: short stacking energy: -131.517
Base-Backbone interact. energy: -0.245
local terms energy: -207.026767
where:
bonds (distance) C4'-P energy: -55.860
bonds (distance) P-C4' energy: -70.430
flat angles C4'-P-C4' energy: -58.599
flat angles P-C4'-P energy: -21.945
tors. eta vs tors. theta energy: -0.193
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: 2
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1309.210509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.210509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.210509 (E_RNA)
where:
Base-Base interactions energy: -890.193
where: short stacking energy: -376.506
Base-Backbone interact. energy: 2.189
local terms energy: -421.206938
where:
bonds (distance) C4'-P energy: -78.949
bonds (distance) P-C4' energy: -82.011
flat angles C4'-P-C4' energy: -89.324
flat angles P-C4'-P energy: -57.884
tors. eta vs tors. theta energy: -113.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1259.344155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.344155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.344155 (E_RNA)
where:
Base-Base interactions energy: -858.007
where: short stacking energy: -383.177
Base-Backbone interact. energy: -1.072
local terms energy: -400.264969
where:
bonds (distance) C4'-P energy: -68.868
bonds (distance) P-C4' energy: -69.666
flat angles C4'-P-C4' energy: -73.753
flat angles P-C4'-P energy: -70.935
tors. eta vs tors. theta energy: -117.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1217.880452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.880452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.880452 (E_RNA)
where:
Base-Base interactions energy: -824.056
where: short stacking energy: -352.192
Base-Backbone interact. energy: -2.262
local terms energy: -391.562485
where:
bonds (distance) C4'-P energy: -64.332
bonds (distance) P-C4' energy: -74.722
flat angles C4'-P-C4' energy: -78.573
flat angles P-C4'-P energy: -63.068
tors. eta vs tors. theta energy: -110.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -1098.103497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.103497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.103497 (E_RNA)
where:
Base-Base interactions energy: -770.685
where: short stacking energy: -323.168
Base-Backbone interact. energy: -0.081
local terms energy: -327.337176
where:
bonds (distance) C4'-P energy: -53.473
bonds (distance) P-C4' energy: -60.722
flat angles C4'-P-C4' energy: -76.966
flat angles P-C4'-P energy: -45.082
tors. eta vs tors. theta energy: -91.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -969.332193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.332193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.332193 (E_RNA)
where:
Base-Base interactions energy: -640.167
where: short stacking energy: -275.691
Base-Backbone interact. energy: -3.010
local terms energy: -326.155605
where:
bonds (distance) C4'-P energy: -58.543
bonds (distance) P-C4' energy: -69.389
flat angles C4'-P-C4' energy: -65.795
flat angles P-C4'-P energy: -45.479
tors. eta vs tors. theta energy: -86.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -884.172458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.172458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.172458 (E_RNA)
where:
Base-Base interactions energy: -556.338
where: short stacking energy: -246.924
Base-Backbone interact. energy: -1.976
local terms energy: -325.857855
where:
bonds (distance) C4'-P energy: -70.468
bonds (distance) P-C4' energy: -68.698
flat angles C4'-P-C4' energy: -77.007
flat angles P-C4'-P energy: -43.372
tors. eta vs tors. theta energy: -66.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -786.261666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.261666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.261666 (E_RNA)
where:
Base-Base interactions energy: -496.636
where: short stacking energy: -210.754
Base-Backbone interact. energy: -1.063
local terms energy: -288.562339
where:
bonds (distance) C4'-P energy: -57.748
bonds (distance) P-C4' energy: -56.600
flat angles C4'-P-C4' energy: -69.078
flat angles P-C4'-P energy: -52.966
tors. eta vs tors. theta energy: -52.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -515.122263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.122263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.122263 (E_RNA)
where:
Base-Base interactions energy: -275.201
where: short stacking energy: -147.277
Base-Backbone interact. energy: 0.225
local terms energy: -240.146477
where:
bonds (distance) C4'-P energy: -69.467
bonds (distance) P-C4' energy: -57.213
flat angles C4'-P-C4' energy: -65.410
flat angles P-C4'-P energy: -24.134
tors. eta vs tors. theta energy: -23.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -494.141726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.141726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.141726 (E_RNA)
where:
Base-Base interactions energy: -252.608
where: short stacking energy: -136.521
Base-Backbone interact. energy: -0.637
local terms energy: -240.897067
where:
bonds (distance) C4'-P energy: -61.851
bonds (distance) P-C4' energy: -66.906
flat angles C4'-P-C4' energy: -57.080
flat angles P-C4'-P energy: -43.616
tors. eta vs tors. theta energy: -11.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -494.642662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.642662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.642662 (E_RNA)
where:
Base-Base interactions energy: -236.624
where: short stacking energy: -139.449
Base-Backbone interact. energy: -0.141
local terms energy: -257.877749
where:
bonds (distance) C4'-P energy: -58.744
bonds (distance) P-C4' energy: -70.793
flat angles C4'-P-C4' energy: -60.086
flat angles P-C4'-P energy: -44.604
tors. eta vs tors. theta energy: -23.651
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: 2
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1331.128569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.128569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.128569 (E_RNA)
where:
Base-Base interactions energy: -911.616
where: short stacking energy: -389.853
Base-Backbone interact. energy: -0.264
local terms energy: -419.248861
where:
bonds (distance) C4'-P energy: -74.927
bonds (distance) P-C4' energy: -74.221
flat angles C4'-P-C4' energy: -89.142
flat angles P-C4'-P energy: -61.422
tors. eta vs tors. theta energy: -119.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1254.289373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.289373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.289373 (E_RNA)
where:
Base-Base interactions energy: -851.582
where: short stacking energy: -382.736
Base-Backbone interact. energy: -0.264
local terms energy: -402.443876
where:
bonds (distance) C4'-P energy: -72.218
bonds (distance) P-C4' energy: -69.273
flat angles C4'-P-C4' energy: -80.950
flat angles P-C4'-P energy: -62.914
tors. eta vs tors. theta energy: -117.089
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: 1
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1238.855691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.855691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.855691 (E_RNA)
where:
Base-Base interactions energy: -838.655
where: short stacking energy: -364.250
Base-Backbone interact. energy: 2.704
local terms energy: -402.903974
where:
bonds (distance) C4'-P energy: -80.283
bonds (distance) P-C4' energy: -76.804
flat angles C4'-P-C4' energy: -71.875
flat angles P-C4'-P energy: -58.967
tors. eta vs tors. theta energy: -114.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1079.918556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.918556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.918556 (E_RNA)
where:
Base-Base interactions energy: -731.379
where: short stacking energy: -307.506
Base-Backbone interact. energy: 1.952
local terms energy: -350.490825
where:
bonds (distance) C4'-P energy: -66.289
bonds (distance) P-C4' energy: -64.794
flat angles C4'-P-C4' energy: -73.742
flat angles P-C4'-P energy: -54.046
tors. eta vs tors. theta energy: -91.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -978.275255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.275255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.275255 (E_RNA)
where:
Base-Base interactions energy: -647.771
where: short stacking energy: -294.169
Base-Backbone interact. energy: -1.160
local terms energy: -329.344958
where:
bonds (distance) C4'-P energy: -57.713
bonds (distance) P-C4' energy: -70.186
flat angles C4'-P-C4' energy: -74.191
flat angles P-C4'-P energy: -45.536
tors. eta vs tors. theta energy: -81.718
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: 6, replica: 10
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -901.159839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.159839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.159839 (E_RNA)
where:
Base-Base interactions energy: -585.853
where: short stacking energy: -259.773
Base-Backbone interact. energy: -0.345
local terms energy: -314.962104
where:
bonds (distance) C4'-P energy: -67.884
bonds (distance) P-C4' energy: -64.985
flat angles C4'-P-C4' energy: -72.019
flat angles P-C4'-P energy: -41.706
tors. eta vs tors. theta energy: -68.368
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: 7, replica: 3
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -767.962442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.962442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.962442 (E_RNA)
where:
Base-Base interactions energy: -477.197
where: short stacking energy: -202.674
Base-Backbone interact. energy: -1.347
local terms energy: -289.418143
where:
bonds (distance) C4'-P energy: -55.239
bonds (distance) P-C4' energy: -68.379
flat angles C4'-P-C4' energy: -78.647
flat angles P-C4'-P energy: -45.088
tors. eta vs tors. theta energy: -42.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -494.866428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.866428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.866428 (E_RNA)
where:
Base-Base interactions energy: -243.147
where: short stacking energy: -128.981
Base-Backbone interact. energy: -1.824
local terms energy: -249.895797
where:
bonds (distance) C4'-P energy: -65.099
bonds (distance) P-C4' energy: -63.480
flat angles C4'-P-C4' energy: -69.970
flat angles P-C4'-P energy: -36.804
tors. eta vs tors. theta energy: -14.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -557.160641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.160641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.160641 (E_RNA)
where:
Base-Base interactions energy: -328.089
where: short stacking energy: -151.350
Base-Backbone interact. energy: -0.784
local terms energy: -228.287257
where:
bonds (distance) C4'-P energy: -71.373
bonds (distance) P-C4' energy: -49.405
flat angles C4'-P-C4' energy: -64.803
flat angles P-C4'-P energy: -29.952
tors. eta vs tors. theta energy: -12.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -457.721779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.721779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.721779 (E_RNA)
where:
Base-Base interactions energy: -237.097
where: short stacking energy: -125.870
Base-Backbone interact. energy: 1.496
local terms energy: -222.121166
where:
bonds (distance) C4'-P energy: -64.165
bonds (distance) P-C4' energy: -53.308
flat angles C4'-P-C4' energy: -55.591
flat angles P-C4'-P energy: -37.228
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: 1, replica: 2
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1310.897602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.897602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.897602 (E_RNA)
where:
Base-Base interactions energy: -901.001
where: short stacking energy: -387.502
Base-Backbone interact. energy: -0.688
local terms energy: -409.208468
where:
bonds (distance) C4'-P energy: -76.610
bonds (distance) P-C4' energy: -72.703
flat angles C4'-P-C4' energy: -90.762
flat angles P-C4'-P energy: -55.737
tors. eta vs tors. theta energy: -113.396
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: 2, replica: 9
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1259.282437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.282437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.282437 (E_RNA)
where:
Base-Base interactions energy: -854.894
where: short stacking energy: -378.388
Base-Backbone interact. energy: -0.587
local terms energy: -403.800701
where:
bonds (distance) C4'-P energy: -80.925
bonds (distance) P-C4' energy: -60.538
flat angles C4'-P-C4' energy: -82.717
flat angles P-C4'-P energy: -59.454
tors. eta vs tors. theta energy: -120.166
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: 439
Temperature: 1.000000
Total energy: -1224.187690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.187690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.187690 (E_RNA)
where:
Base-Base interactions energy: -826.201
where: short stacking energy: -345.384
Base-Backbone interact. energy: -0.891
local terms energy: -397.095345
where:
bonds (distance) C4'-P energy: -67.742
bonds (distance) P-C4' energy: -75.133
flat angles C4'-P-C4' energy: -78.932
flat angles P-C4'-P energy: -62.240
tors. eta vs tors. theta energy: -113.049
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: 7
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1102.534884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.534884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.534884 (E_RNA)
where:
Base-Base interactions energy: -752.512
where: short stacking energy: -305.182
Base-Backbone interact. energy: -0.970
local terms energy: -349.053187
where:
bonds (distance) C4'-P energy: -67.079
bonds (distance) P-C4' energy: -67.751
flat angles C4'-P-C4' energy: -74.260
flat angles P-C4'-P energy: -51.955
tors. eta vs tors. theta energy: -88.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -965.887518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.887518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.887518 (E_RNA)
where:
Base-Base interactions energy: -629.186
where: short stacking energy: -282.524
Base-Backbone interact. energy: -0.913
local terms energy: -335.788662
where:
bonds (distance) C4'-P energy: -71.375
bonds (distance) P-C4' energy: -72.876
flat angles C4'-P-C4' energy: -68.241
flat angles P-C4'-P energy: -45.643
tors. eta vs tors. theta energy: -77.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -884.349348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.349348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.349348 (E_RNA)
where:
Base-Base interactions energy: -596.852
where: short stacking energy: -267.899
Base-Backbone interact. energy: -0.581
local terms energy: -286.916408
where:
bonds (distance) C4'-P energy: -63.590
bonds (distance) P-C4' energy: -64.602
flat angles C4'-P-C4' energy: -60.494
flat angles P-C4'-P energy: -33.779
tors. eta vs tors. theta energy: -64.451
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: 7, replica: 3
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -778.312496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.312496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.312496 (E_RNA)
where:
Base-Base interactions energy: -500.513
where: short stacking energy: -221.217
Base-Backbone interact. energy: -2.609
local terms energy: -275.191246
where:
bonds (distance) C4'-P energy: -51.617
bonds (distance) P-C4' energy: -68.883
flat angles C4'-P-C4' energy: -67.289
flat angles P-C4'-P energy: -40.471
tors. eta vs tors. theta energy: -46.931
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: 439
Temperature: 1.250000
Total energy: -577.324116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.324116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.324116 (E_RNA)
where:
Base-Base interactions energy: -324.704
where: short stacking energy: -143.964
Base-Backbone interact. energy: -0.892
local terms energy: -251.727383
where:
bonds (distance) C4'-P energy: -57.114
bonds (distance) P-C4' energy: -73.160
flat angles C4'-P-C4' energy: -65.067
flat angles P-C4'-P energy: -39.295
tors. eta vs tors. theta energy: -17.091
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: 8
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -475.060100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.060100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.060100 (E_RNA)
where:
Base-Base interactions energy: -245.695
where: short stacking energy: -140.434
Base-Backbone interact. energy: -0.474
local terms energy: -228.891289
where:
bonds (distance) C4'-P energy: -52.646
bonds (distance) P-C4' energy: -62.519
flat angles C4'-P-C4' energy: -52.491
flat angles P-C4'-P energy: -41.244
tors. eta vs tors. theta energy: -19.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -456.263357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.263357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.263357 (E_RNA)
where:
Base-Base interactions energy: -243.490
where: short stacking energy: -132.450
Base-Backbone interact. energy: 0.073
local terms energy: -212.845712
where:
bonds (distance) C4'-P energy: -52.896
bonds (distance) P-C4' energy: -53.367
flat angles C4'-P-C4' energy: -54.795
flat angles P-C4'-P energy: -39.782
tors. eta vs tors. theta energy: -12.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1315.939753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.939753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.939753 (E_RNA)
where:
Base-Base interactions energy: -886.976
where: short stacking energy: -395.008
Base-Backbone interact. energy: -1.353
local terms energy: -427.610952
where:
bonds (distance) C4'-P energy: -67.726
bonds (distance) P-C4' energy: -82.846
flat angles C4'-P-C4' energy: -91.785
flat angles P-C4'-P energy: -60.827
tors. eta vs tors. theta energy: -124.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1267.571361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.571361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.571361 (E_RNA)
where:
Base-Base interactions energy: -852.135
where: short stacking energy: -371.833
Base-Backbone interact. energy: 2.448
local terms energy: -417.884159
where:
bonds (distance) C4'-P energy: -70.124
bonds (distance) P-C4' energy: -79.469
flat angles C4'-P-C4' energy: -97.208
flat angles P-C4'-P energy: -60.196
tors. eta vs tors. theta energy: -110.887
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: 1
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1200.993222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.993222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.993222 (E_RNA)
where:
Base-Base interactions energy: -816.446
where: short stacking energy: -343.858
Base-Backbone interact. energy: -2.735
local terms energy: -381.812388
where:
bonds (distance) C4'-P energy: -76.373
bonds (distance) P-C4' energy: -61.282
flat angles C4'-P-C4' energy: -78.317
flat angles P-C4'-P energy: -55.332
tors. eta vs tors. theta energy: -110.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -1131.231187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.231187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.231187 (E_RNA)
where:
Base-Base interactions energy: -770.083
where: short stacking energy: -315.680
Base-Backbone interact. energy: -1.017
local terms energy: -360.131079
where:
bonds (distance) C4'-P energy: -68.722
bonds (distance) P-C4' energy: -56.068
flat angles C4'-P-C4' energy: -83.570
flat angles P-C4'-P energy: -61.966
tors. eta vs tors. theta energy: -89.806
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: 5
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -931.232812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.232812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.232812 (E_RNA)
where:
Base-Base interactions energy: -588.233
where: short stacking energy: -270.786
Base-Backbone interact. energy: -1.092
local terms energy: -341.907801
where:
bonds (distance) C4'-P energy: -67.527
bonds (distance) P-C4' energy: -68.340
flat angles C4'-P-C4' energy: -69.738
flat angles P-C4'-P energy: -50.160
tors. eta vs tors. theta energy: -86.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -881.259702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.259702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.259702 (E_RNA)
where:
Base-Base interactions energy: -590.043
where: short stacking energy: -266.112
Base-Backbone interact. energy: 2.486
local terms energy: -293.703467
where:
bonds (distance) C4'-P energy: -65.378
bonds (distance) P-C4' energy: -67.014
flat angles C4'-P-C4' energy: -59.892
flat angles P-C4'-P energy: -43.289
tors. eta vs tors. theta energy: -58.132
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: 3
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -774.255395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.255395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.255395 (E_RNA)
where:
Base-Base interactions energy: -507.565
where: short stacking energy: -217.209
Base-Backbone interact. energy: 0.062
local terms energy: -266.752854
where:
bonds (distance) C4'-P energy: -61.385
bonds (distance) P-C4' energy: -71.858
flat angles C4'-P-C4' energy: -54.585
flat angles P-C4'-P energy: -31.703
tors. eta vs tors. theta energy: -47.222
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: 8, replica: 6
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -607.988349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.988349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.988349 (E_RNA)
where:
Base-Base interactions energy: -357.445
where: short stacking energy: -167.113
Base-Backbone interact. energy: 0.761
local terms energy: -251.304352
where:
bonds (distance) C4'-P energy: -70.062
bonds (distance) P-C4' energy: -61.613
flat angles C4'-P-C4' energy: -64.485
flat angles P-C4'-P energy: -39.157
tors. eta vs tors. theta energy: -15.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -498.265550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.265550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.265550 (E_RNA)
where:
Base-Base interactions energy: -269.386
where: short stacking energy: -143.162
Base-Backbone interact. energy: -1.949
local terms energy: -226.931154
where:
bonds (distance) C4'-P energy: -59.666
bonds (distance) P-C4' energy: -56.218
flat angles C4'-P-C4' energy: -61.138
flat angles P-C4'-P energy: -40.295
tors. eta vs tors. theta energy: -9.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -436.879466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.879466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.879466 (E_RNA)
where:
Base-Base interactions energy: -237.019
where: short stacking energy: -109.084
Base-Backbone interact. energy: -0.162
local terms energy: -199.698081
where:
bonds (distance) C4'-P energy: -57.792
bonds (distance) P-C4' energy: -62.382
flat angles C4'-P-C4' energy: -48.833
flat angles P-C4'-P energy: -33.989
tors. eta vs tors. theta energy: 3.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1310.317640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.317640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.317640 (E_RNA)
where:
Base-Base interactions energy: -882.505
where: short stacking energy: -373.478
Base-Backbone interact. energy: 2.358
local terms energy: -430.170835
where:
bonds (distance) C4'-P energy: -82.367
bonds (distance) P-C4' energy: -73.832
flat angles C4'-P-C4' energy: -87.912
flat angles P-C4'-P energy: -68.189
tors. eta vs tors. theta energy: -117.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1238.477282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.477282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.477282 (E_RNA)
where:
Base-Base interactions energy: -840.100
where: short stacking energy: -391.076
Base-Backbone interact. energy: -0.139
local terms energy: -398.237892
where:
bonds (distance) C4'-P energy: -73.329
bonds (distance) P-C4' energy: -66.532
flat angles C4'-P-C4' energy: -78.449
flat angles P-C4'-P energy: -58.970
tors. eta vs tors. theta energy: -120.959
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: 1
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1224.953630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.953630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.953630 (E_RNA)
where:
Base-Base interactions energy: -838.038
where: short stacking energy: -351.422
Base-Backbone interact. energy: -2.226
local terms energy: -384.690369
where:
bonds (distance) C4'-P energy: -69.686
bonds (distance) P-C4' energy: -74.484
flat angles C4'-P-C4' energy: -80.164
flat angles P-C4'-P energy: -48.659
tors. eta vs tors. theta energy: -111.696
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: 7
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1112.429729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.429729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.429729 (E_RNA)
where:
Base-Base interactions energy: -768.392
where: short stacking energy: -310.745
Base-Backbone interact. energy: -0.940
local terms energy: -343.098645
where:
bonds (distance) C4'-P energy: -60.206
bonds (distance) P-C4' energy: -63.244
flat angles C4'-P-C4' energy: -76.712
flat angles P-C4'-P energy: -52.941
tors. eta vs tors. theta energy: -89.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -955.878683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.878683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.878683 (E_RNA)
where:
Base-Base interactions energy: -637.066
where: short stacking energy: -279.440
Base-Backbone interact. energy: -2.113
local terms energy: -316.699630
where:
bonds (distance) C4'-P energy: -62.342
bonds (distance) P-C4' energy: -57.502
flat angles C4'-P-C4' energy: -76.439
flat angles P-C4'-P energy: -49.396
tors. eta vs tors. theta energy: -71.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -886.084994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.084994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.084994 (E_RNA)
where:
Base-Base interactions energy: -585.286
where: short stacking energy: -270.393
Base-Backbone interact. energy: -1.553
local terms energy: -299.246450
where:
bonds (distance) C4'-P energy: -72.947
bonds (distance) P-C4' energy: -54.086
flat angles C4'-P-C4' energy: -55.399
flat angles P-C4'-P energy: -50.050
tors. eta vs tors. theta energy: -66.764
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: 441
Temperature: 1.200000
Total energy: -803.291252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.291252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.291252 (E_RNA)
where:
Base-Base interactions energy: -530.909
where: short stacking energy: -237.842
Base-Backbone interact. energy: 0.006
local terms energy: -272.388412
where:
bonds (distance) C4'-P energy: -54.925
bonds (distance) P-C4' energy: -68.244
flat angles C4'-P-C4' energy: -55.988
flat angles P-C4'-P energy: -43.888
tors. eta vs tors. theta energy: -49.344
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: 441
Temperature: 1.250000
Total energy: -569.718952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.718952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.718952 (E_RNA)
where:
Base-Base interactions energy: -301.502
where: short stacking energy: -157.786
Base-Backbone interact. energy: 2.722
local terms energy: -270.938400
where:
bonds (distance) C4'-P energy: -64.660
bonds (distance) P-C4' energy: -74.676
flat angles C4'-P-C4' energy: -64.414
flat angles P-C4'-P energy: -51.489
tors. eta vs tors. theta energy: -15.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -481.776303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.776303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.776303 (E_RNA)
where:
Base-Base interactions energy: -263.077
where: short stacking energy: -130.217
Base-Backbone interact. energy: 2.612
local terms energy: -221.311561
where:
bonds (distance) C4'-P energy: -59.412
bonds (distance) P-C4' energy: -63.472
flat angles C4'-P-C4' energy: -56.886
flat angles P-C4'-P energy: -32.410
tors. eta vs tors. theta energy: -9.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -472.975765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.975765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.975765 (E_RNA)
where:
Base-Base interactions energy: -260.908
where: short stacking energy: -129.270
Base-Backbone interact. energy: -0.966
local terms energy: -211.102270
where:
bonds (distance) C4'-P energy: -53.273
bonds (distance) P-C4' energy: -58.718
flat angles C4'-P-C4' energy: -48.225
flat angles P-C4'-P energy: -43.309
tors. eta vs tors. theta energy: -7.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1309.117276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.117276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.117276 (E_RNA)
where:
Base-Base interactions energy: -894.114
where: short stacking energy: -383.989
Base-Backbone interact. energy: 0.786
local terms energy: -415.789342
where:
bonds (distance) C4'-P energy: -65.190
bonds (distance) P-C4' energy: -77.044
flat angles C4'-P-C4' energy: -90.560
flat angles P-C4'-P energy: -66.350
tors. eta vs tors. theta energy: -116.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1232.173953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.173953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.173953 (E_RNA)
where:
Base-Base interactions energy: -837.106
where: short stacking energy: -371.108
Base-Backbone interact. energy: 0.436
local terms energy: -395.503335
where:
bonds (distance) C4'-P energy: -71.637
bonds (distance) P-C4' energy: -71.070
flat angles C4'-P-C4' energy: -79.009
flat angles P-C4'-P energy: -59.734
tors. eta vs tors. theta energy: -114.054
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: 1
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1227.514298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.514298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.514298 (E_RNA)
where:
Base-Base interactions energy: -837.647
where: short stacking energy: -361.058
Base-Backbone interact. energy: -2.142
local terms energy: -387.725451
where:
bonds (distance) C4'-P energy: -69.111
bonds (distance) P-C4' energy: -76.594
flat angles C4'-P-C4' energy: -88.361
flat angles P-C4'-P energy: -43.069
tors. eta vs tors. theta energy: -110.590
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: 7
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1048.216243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.216243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.216243 (E_RNA)
where:
Base-Base interactions energy: -692.371
where: short stacking energy: -287.076
Base-Backbone interact. energy: -1.312
local terms energy: -354.533111
where:
bonds (distance) C4'-P energy: -57.986
bonds (distance) P-C4' energy: -79.229
flat angles C4'-P-C4' energy: -81.214
flat angles P-C4'-P energy: -55.394
tors. eta vs tors. theta energy: -80.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -950.248065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.248065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.248065 (E_RNA)
where:
Base-Base interactions energy: -620.865
where: short stacking energy: -277.388
Base-Backbone interact. energy: -0.761
local terms energy: -328.621687
where:
bonds (distance) C4'-P energy: -72.083
bonds (distance) P-C4' energy: -67.584
flat angles C4'-P-C4' energy: -72.493
flat angles P-C4'-P energy: -32.376
tors. eta vs tors. theta energy: -84.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -882.697009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.697009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.697009 (E_RNA)
where:
Base-Base interactions energy: -556.606
where: short stacking energy: -272.346
Base-Backbone interact. energy: -0.271
local terms energy: -325.820736
where:
bonds (distance) C4'-P energy: -64.701
bonds (distance) P-C4' energy: -74.768
flat angles C4'-P-C4' energy: -67.632
flat angles P-C4'-P energy: -46.897
tors. eta vs tors. theta energy: -71.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -814.329300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.329300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.329300 (E_RNA)
where:
Base-Base interactions energy: -524.405
where: short stacking energy: -231.612
Base-Backbone interact. energy: -2.816
local terms energy: -287.108344
where:
bonds (distance) C4'-P energy: -65.285
bonds (distance) P-C4' energy: -63.248
flat angles C4'-P-C4' energy: -66.082
flat angles P-C4'-P energy: -32.424
tors. eta vs tors. theta energy: -60.069
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: 6
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -579.146465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.146465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.146465 (E_RNA)
where:
Base-Base interactions energy: -320.911
where: short stacking energy: -161.053
Base-Backbone interact. energy: -1.252
local terms energy: -256.982746
where:
bonds (distance) C4'-P energy: -55.979
bonds (distance) P-C4' energy: -63.783
flat angles C4'-P-C4' energy: -52.813
flat angles P-C4'-P energy: -48.499
tors. eta vs tors. theta energy: -35.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -474.442250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.442250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.442250 (E_RNA)
where:
Base-Base interactions energy: -241.978
where: short stacking energy: -131.900
Base-Backbone interact. energy: 0.526
local terms energy: -232.990094
where:
bonds (distance) C4'-P energy: -64.812
bonds (distance) P-C4' energy: -65.859
flat angles C4'-P-C4' energy: -61.299
flat angles P-C4'-P energy: -29.374
tors. eta vs tors. theta energy: -11.645
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: 4
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -443.107106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.107106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.107106 (E_RNA)
where:
Base-Base interactions energy: -232.618
where: short stacking energy: -130.027
Base-Backbone interact. energy: 0.280
local terms energy: -210.769759
where:
bonds (distance) C4'-P energy: -63.852
bonds (distance) P-C4' energy: -62.439
flat angles C4'-P-C4' energy: -54.162
flat angles P-C4'-P energy: -26.351
tors. eta vs tors. theta energy: -3.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1296.005384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.005384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.005384 (E_RNA)
where:
Base-Base interactions energy: -889.959
where: short stacking energy: -381.912
Base-Backbone interact. energy: -0.161
local terms energy: -405.885173
where:
bonds (distance) C4'-P energy: -78.297
bonds (distance) P-C4' energy: -76.199
flat angles C4'-P-C4' energy: -78.849
flat angles P-C4'-P energy: -56.174
tors. eta vs tors. theta energy: -116.365
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: 1
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1227.017930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.017930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.017930 (E_RNA)
where:
Base-Base interactions energy: -815.084
where: short stacking energy: -368.047
Base-Backbone interact. energy: 0.683
local terms energy: -412.616867
where:
bonds (distance) C4'-P energy: -70.004
bonds (distance) P-C4' energy: -82.793
flat angles C4'-P-C4' energy: -91.760
flat angles P-C4'-P energy: -53.570
tors. eta vs tors. theta energy: -114.490
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: 9
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1221.868829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.868829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.868829 (E_RNA)
where:
Base-Base interactions energy: -834.085
where: short stacking energy: -368.443
Base-Backbone interact. energy: -0.593
local terms energy: -387.191080
where:
bonds (distance) C4'-P energy: -72.024
bonds (distance) P-C4' energy: -63.461
flat angles C4'-P-C4' energy: -83.478
flat angles P-C4'-P energy: -47.588
tors. eta vs tors. theta energy: -120.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1076.374239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.374239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.374239 (E_RNA)
where:
Base-Base interactions energy: -730.115
where: short stacking energy: -309.900
Base-Backbone interact. energy: -1.744
local terms energy: -344.515473
where:
bonds (distance) C4'-P energy: -66.255
bonds (distance) P-C4' energy: -66.752
flat angles C4'-P-C4' energy: -77.258
flat angles P-C4'-P energy: -43.593
tors. eta vs tors. theta energy: -90.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -942.485588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.485588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.485588 (E_RNA)
where:
Base-Base interactions energy: -626.422
where: short stacking energy: -274.663
Base-Backbone interact. energy: -0.977
local terms energy: -315.087360
where:
bonds (distance) C4'-P energy: -59.315
bonds (distance) P-C4' energy: -70.127
flat angles C4'-P-C4' energy: -76.779
flat angles P-C4'-P energy: -26.882
tors. eta vs tors. theta energy: -81.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -822.455030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.455030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.455030 (E_RNA)
where:
Base-Base interactions energy: -517.483
where: short stacking energy: -242.681
Base-Backbone interact. energy: 0.734
local terms energy: -305.705493
where:
bonds (distance) C4'-P energy: -59.084
bonds (distance) P-C4' energy: -62.868
flat angles C4'-P-C4' energy: -66.080
flat angles P-C4'-P energy: -49.596
tors. eta vs tors. theta energy: -68.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -839.667098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.667098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.667098 (E_RNA)
where:
Base-Base interactions energy: -540.519
where: short stacking energy: -237.529
Base-Backbone interact. energy: -0.248
local terms energy: -298.900513
where:
bonds (distance) C4'-P energy: -63.484
bonds (distance) P-C4' energy: -65.710
flat angles C4'-P-C4' energy: -63.323
flat angles P-C4'-P energy: -42.963
tors. eta vs tors. theta energy: -63.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -595.557256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.557256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.557256 (E_RNA)
where:
Base-Base interactions energy: -337.696
where: short stacking energy: -171.774
Base-Backbone interact. energy: 6.525
local terms energy: -264.386151
where:
bonds (distance) C4'-P energy: -64.962
bonds (distance) P-C4' energy: -74.987
flat angles C4'-P-C4' energy: -63.653
flat angles P-C4'-P energy: -36.286
tors. eta vs tors. theta energy: -24.499
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: 8
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -498.351809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.351809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.351809 (E_RNA)
where:
Base-Base interactions energy: -247.216
where: short stacking energy: -130.842
Base-Backbone interact. energy: 1.179
local terms energy: -252.314329
where:
bonds (distance) C4'-P energy: -62.301
bonds (distance) P-C4' energy: -65.057
flat angles C4'-P-C4' energy: -63.438
flat angles P-C4'-P energy: -43.243
tors. eta vs tors. theta energy: -18.276
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: 10, replica: 4
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -447.169156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.169156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.169156 (E_RNA)
where:
Base-Base interactions energy: -224.090
where: short stacking energy: -115.728
Base-Backbone interact. energy: -2.542
local terms energy: -220.537528
where:
bonds (distance) C4'-P energy: -46.654
bonds (distance) P-C4' energy: -77.034
flat angles C4'-P-C4' energy: -67.791
flat angles P-C4'-P energy: -34.699
tors. eta vs tors. theta energy: 5.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1299.165077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.165077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.165077 (E_RNA)
where:
Base-Base interactions energy: -900.982
where: short stacking energy: -404.340
Base-Backbone interact. energy: 0.043
local terms energy: -398.226019
where:
bonds (distance) C4'-P energy: -60.183
bonds (distance) P-C4' energy: -72.249
flat angles C4'-P-C4' energy: -86.017
flat angles P-C4'-P energy: -61.431
tors. eta vs tors. theta energy: -118.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1221.197670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.197670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.197670 (E_RNA)
where:
Base-Base interactions energy: -818.000
where: short stacking energy: -350.699
Base-Backbone interact. energy: -2.805
local terms energy: -400.392767
where:
bonds (distance) C4'-P energy: -72.300
bonds (distance) P-C4' energy: -70.062
flat angles C4'-P-C4' energy: -83.158
flat angles P-C4'-P energy: -70.076
tors. eta vs tors. theta energy: -104.797
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: 3, replica: 9
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1197.724263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.724263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.724263 (E_RNA)
where:
Base-Base interactions energy: -814.896
where: short stacking energy: -359.139
Base-Backbone interact. energy: 0.304
local terms energy: -383.131821
where:
bonds (distance) C4'-P energy: -68.838
bonds (distance) P-C4' energy: -74.263
flat angles C4'-P-C4' energy: -71.231
flat angles P-C4'-P energy: -55.659
tors. eta vs tors. theta energy: -113.141
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: 7
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -1077.586111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.586111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.586111 (E_RNA)
where:
Base-Base interactions energy: -722.668
where: short stacking energy: -304.719
Base-Backbone interact. energy: -0.839
local terms energy: -354.078823
where:
bonds (distance) C4'-P energy: -77.398
bonds (distance) P-C4' energy: -75.913
flat angles C4'-P-C4' energy: -70.343
flat angles P-C4'-P energy: -53.990
tors. eta vs tors. theta energy: -76.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -981.198628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.198628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.198628 (E_RNA)
where:
Base-Base interactions energy: -634.152
where: short stacking energy: -292.090
Base-Backbone interact. energy: -2.119
local terms energy: -344.927707
where:
bonds (distance) C4'-P energy: -63.883
bonds (distance) P-C4' energy: -61.950
flat angles C4'-P-C4' energy: -74.191
flat angles P-C4'-P energy: -56.939
tors. eta vs tors. theta energy: -87.965
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: 444
Temperature: 1.150000
Total energy: -812.751891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.751891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.751891 (E_RNA)
where:
Base-Base interactions energy: -520.709
where: short stacking energy: -226.740
Base-Backbone interact. energy: -0.091
local terms energy: -291.951354
where:
bonds (distance) C4'-P energy: -60.348
bonds (distance) P-C4' energy: -77.650
flat angles C4'-P-C4' energy: -58.989
flat angles P-C4'-P energy: -43.462
tors. eta vs tors. theta energy: -51.502
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: 10
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -860.497035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.497035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.497035 (E_RNA)
where:
Base-Base interactions energy: -570.491
where: short stacking energy: -253.307
Base-Backbone interact. energy: -1.431
local terms energy: -288.575947
where:
bonds (distance) C4'-P energy: -57.739
bonds (distance) P-C4' energy: -38.726
flat angles C4'-P-C4' energy: -70.711
flat angles P-C4'-P energy: -43.032
tors. eta vs tors. theta energy: -78.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -573.054553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.054553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.054553 (E_RNA)
where:
Base-Base interactions energy: -330.498
where: short stacking energy: -163.243
Base-Backbone interact. energy: 2.269
local terms energy: -244.825582
where:
bonds (distance) C4'-P energy: -53.350
bonds (distance) P-C4' energy: -58.628
flat angles C4'-P-C4' energy: -61.984
flat angles P-C4'-P energy: -36.806
tors. eta vs tors. theta energy: -34.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -492.214990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.214990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.214990 (E_RNA)
where:
Base-Base interactions energy: -257.340
where: short stacking energy: -141.601
Base-Backbone interact. energy: -0.255
local terms energy: -234.619978
where:
bonds (distance) C4'-P energy: -55.388
bonds (distance) P-C4' energy: -76.804
flat angles C4'-P-C4' energy: -60.509
flat angles P-C4'-P energy: -38.694
tors. eta vs tors. theta energy: -3.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -492.879902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.879902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.879902 (E_RNA)
where:
Base-Base interactions energy: -279.211
where: short stacking energy: -130.623
Base-Backbone interact. energy: -2.231
local terms energy: -211.438160
where:
bonds (distance) C4'-P energy: -51.300
bonds (distance) P-C4' energy: -69.370
flat angles C4'-P-C4' energy: -62.356
flat angles P-C4'-P energy: -29.561
tors. eta vs tors. theta energy: 1.149
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: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1288.009857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.009857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.009857 (E_RNA)
where:
Base-Base interactions energy: -880.216
where: short stacking energy: -374.132
Base-Backbone interact. energy: -1.759
local terms energy: -406.035783
where:
bonds (distance) C4'-P energy: -68.749
bonds (distance) P-C4' energy: -77.205
flat angles C4'-P-C4' energy: -86.270
flat angles P-C4'-P energy: -60.316
tors. eta vs tors. theta energy: -113.496
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: 1
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1223.891391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.891391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.891391 (E_RNA)
where:
Base-Base interactions energy: -838.844
where: short stacking energy: -350.352
Base-Backbone interact. energy: -3.914
local terms energy: -381.133809
where:
bonds (distance) C4'-P energy: -74.688
bonds (distance) P-C4' energy: -70.592
flat angles C4'-P-C4' energy: -75.690
flat angles P-C4'-P energy: -54.194
tors. eta vs tors. theta energy: -105.969
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: 3, replica: 9
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1231.127815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.127815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.127815 (E_RNA)
where:
Base-Base interactions energy: -826.970
where: short stacking energy: -361.344
Base-Backbone interact. energy: 1.612
local terms energy: -405.769950
where:
bonds (distance) C4'-P energy: -70.081
bonds (distance) P-C4' energy: -70.163
flat angles C4'-P-C4' energy: -88.879
flat angles P-C4'-P energy: -65.199
tors. eta vs tors. theta energy: -111.448
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: 7
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1074.595346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.595346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.595346 (E_RNA)
where:
Base-Base interactions energy: -719.478
where: short stacking energy: -306.854
Base-Backbone interact. energy: -1.640
local terms energy: -353.476703
where:
bonds (distance) C4'-P energy: -67.646
bonds (distance) P-C4' energy: -69.597
flat angles C4'-P-C4' energy: -77.180
flat angles P-C4'-P energy: -54.077
tors. eta vs tors. theta energy: -84.977
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: 5
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -963.959525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.959525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.959525 (E_RNA)
where:
Base-Base interactions energy: -612.465
where: short stacking energy: -281.945
Base-Backbone interact. energy: -0.467
local terms energy: -351.027199
where:
bonds (distance) C4'-P energy: -69.779
bonds (distance) P-C4' energy: -64.106
flat angles C4'-P-C4' energy: -77.872
flat angles P-C4'-P energy: -49.762
tors. eta vs tors. theta energy: -89.509
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: 6, replica: 3
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -858.826595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.826595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.826595 (E_RNA)
where:
Base-Base interactions energy: -543.706
where: short stacking energy: -250.075
Base-Backbone interact. energy: -1.553
local terms energy: -313.568341
where:
bonds (distance) C4'-P energy: -64.202
bonds (distance) P-C4' energy: -74.707
flat angles C4'-P-C4' energy: -64.965
flat angles P-C4'-P energy: -40.573
tors. eta vs tors. theta energy: -69.121
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: 10
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -844.870758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.870758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.870758 (E_RNA)
where:
Base-Base interactions energy: -552.426
where: short stacking energy: -241.465
Base-Backbone interact. energy: 3.733
local terms energy: -296.177949
where:
bonds (distance) C4'-P energy: -74.090
bonds (distance) P-C4' energy: -65.373
flat angles C4'-P-C4' energy: -68.665
flat angles P-C4'-P energy: -35.897
tors. eta vs tors. theta energy: -52.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -628.610773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.610773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.610773 (E_RNA)
where:
Base-Base interactions energy: -358.365
where: short stacking energy: -169.620
Base-Backbone interact. energy: -0.648
local terms energy: -269.598529
where:
bonds (distance) C4'-P energy: -66.212
bonds (distance) P-C4' energy: -61.460
flat angles C4'-P-C4' energy: -62.738
flat angles P-C4'-P energy: -49.407
tors. eta vs tors. theta energy: -29.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -522.981868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.981868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.981868 (E_RNA)
where:
Base-Base interactions energy: -281.497
where: short stacking energy: -134.380
Base-Backbone interact. energy: 2.358
local terms energy: -243.842340
where:
bonds (distance) C4'-P energy: -54.135
bonds (distance) P-C4' energy: -60.393
flat angles C4'-P-C4' energy: -62.646
flat angles P-C4'-P energy: -51.947
tors. eta vs tors. theta energy: -14.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -459.587693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.587693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.587693 (E_RNA)
where:
Base-Base interactions energy: -227.111
where: short stacking energy: -128.516
Base-Backbone interact. energy: -2.044
local terms energy: -230.432150
where:
bonds (distance) C4'-P energy: -67.509
bonds (distance) P-C4' energy: -63.451
flat angles C4'-P-C4' energy: -50.442
flat angles P-C4'-P energy: -37.194
tors. eta vs tors. theta energy: -11.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1304.678106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.678106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.678106 (E_RNA)
where:
Base-Base interactions energy: -899.019
where: short stacking energy: -386.079
Base-Backbone interact. energy: -0.694
local terms energy: -404.965294
where:
bonds (distance) C4'-P energy: -66.046
bonds (distance) P-C4' energy: -71.974
flat angles C4'-P-C4' energy: -84.327
flat angles P-C4'-P energy: -62.833
tors. eta vs tors. theta energy: -119.785
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: 1
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1267.028586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.028586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.028586 (E_RNA)
where:
Base-Base interactions energy: -867.654
where: short stacking energy: -373.404
Base-Backbone interact. energy: -0.214
local terms energy: -399.160538
where:
bonds (distance) C4'-P energy: -70.523
bonds (distance) P-C4' energy: -72.029
flat angles C4'-P-C4' energy: -91.187
flat angles P-C4'-P energy: -48.630
tors. eta vs tors. theta energy: -116.792
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: 9
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1227.374041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.374041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.374041 (E_RNA)
where:
Base-Base interactions energy: -835.016
where: short stacking energy: -378.664
Base-Backbone interact. energy: -1.708
local terms energy: -390.649926
where:
bonds (distance) C4'-P energy: -68.801
bonds (distance) P-C4' energy: -66.285
flat angles C4'-P-C4' energy: -81.642
flat angles P-C4'-P energy: -63.047
tors. eta vs tors. theta energy: -110.875
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: 7
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -1063.257625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.257625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.257625 (E_RNA)
where:
Base-Base interactions energy: -731.342
where: short stacking energy: -282.053
Base-Backbone interact. energy: -3.532
local terms energy: -328.383534
where:
bonds (distance) C4'-P energy: -73.032
bonds (distance) P-C4' energy: -72.793
flat angles C4'-P-C4' energy: -55.940
flat angles P-C4'-P energy: -50.195
tors. eta vs tors. theta energy: -76.424
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: 5
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -932.115382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.115382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.115382 (E_RNA)
where:
Base-Base interactions energy: -611.688
where: short stacking energy: -278.689
Base-Backbone interact. energy: 2.120
local terms energy: -322.546537
where:
bonds (distance) C4'-P energy: -75.699
bonds (distance) P-C4' energy: -65.654
flat angles C4'-P-C4' energy: -60.515
flat angles P-C4'-P energy: -37.991
tors. eta vs tors. theta energy: -82.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -816.389493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.389493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.389493 (E_RNA)
where:
Base-Base interactions energy: -525.478
where: short stacking energy: -242.568
Base-Backbone interact. energy: -0.097
local terms energy: -290.815031
where:
bonds (distance) C4'-P energy: -64.900
bonds (distance) P-C4' energy: -62.419
flat angles C4'-P-C4' energy: -74.064
flat angles P-C4'-P energy: -43.169
tors. eta vs tors. theta energy: -46.262
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: 10
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -807.379998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.379998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.379998 (E_RNA)
where:
Base-Base interactions energy: -512.217
where: short stacking energy: -240.587
Base-Backbone interact. energy: 1.291
local terms energy: -296.454005
where:
bonds (distance) C4'-P energy: -65.410
bonds (distance) P-C4' energy: -69.667
flat angles C4'-P-C4' energy: -55.298
flat angles P-C4'-P energy: -48.905
tors. eta vs tors. theta energy: -57.174
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: 6
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -657.157883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.157883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.157883 (E_RNA)
where:
Base-Base interactions energy: -402.354
where: short stacking energy: -181.386
Base-Backbone interact. energy: -0.341
local terms energy: -254.462640
where:
bonds (distance) C4'-P energy: -57.018
bonds (distance) P-C4' energy: -51.369
flat angles C4'-P-C4' energy: -67.409
flat angles P-C4'-P energy: -39.301
tors. eta vs tors. theta energy: -39.366
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: 9, replica: 8
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -510.143271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.143271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.143271 (E_RNA)
where:
Base-Base interactions energy: -286.150
where: short stacking energy: -135.407
Base-Backbone interact. energy: -1.122
local terms energy: -222.871636
where:
bonds (distance) C4'-P energy: -63.059
bonds (distance) P-C4' energy: -59.881
flat angles C4'-P-C4' energy: -54.782
flat angles P-C4'-P energy: -21.831
tors. eta vs tors. theta energy: -23.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -459.054687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.054687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.054687 (E_RNA)
where:
Base-Base interactions energy: -225.151
where: short stacking energy: -124.900
Base-Backbone interact. energy: 5.593
local terms energy: -239.496785
where:
bonds (distance) C4'-P energy: -61.775
bonds (distance) P-C4' energy: -64.847
flat angles C4'-P-C4' energy: -62.475
flat angles P-C4'-P energy: -32.200
tors. eta vs tors. theta energy: -18.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1313.314820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.314820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.314820 (E_RNA)
where:
Base-Base interactions energy: -902.252
where: short stacking energy: -392.583
Base-Backbone interact. energy: -0.263
local terms energy: -410.799590
where:
bonds (distance) C4'-P energy: -66.685
bonds (distance) P-C4' energy: -77.307
flat angles C4'-P-C4' energy: -83.551
flat angles P-C4'-P energy: -58.495
tors. eta vs tors. theta energy: -124.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1246.364164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.364164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.364164 (E_RNA)
where:
Base-Base interactions energy: -851.314
where: short stacking energy: -355.686
Base-Backbone interact. energy: -4.149
local terms energy: -390.901680
where:
bonds (distance) C4'-P energy: -71.787
bonds (distance) P-C4' energy: -69.798
flat angles C4'-P-C4' energy: -80.454
flat angles P-C4'-P energy: -56.214
tors. eta vs tors. theta energy: -112.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1180.806521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.806521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.806521 (E_RNA)
where:
Base-Base interactions energy: -795.413
where: short stacking energy: -353.945
Base-Backbone interact. energy: 3.457
local terms energy: -388.850739
where:
bonds (distance) C4'-P energy: -68.434
bonds (distance) P-C4' energy: -72.223
flat angles C4'-P-C4' energy: -86.986
flat angles P-C4'-P energy: -55.194
tors. eta vs tors. theta energy: -106.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1104.261665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.261665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.261665 (E_RNA)
where:
Base-Base interactions energy: -754.551
where: short stacking energy: -306.569
Base-Backbone interact. energy: -0.975
local terms energy: -348.735759
where:
bonds (distance) C4'-P energy: -72.453
bonds (distance) P-C4' energy: -68.468
flat angles C4'-P-C4' energy: -80.697
flat angles P-C4'-P energy: -44.848
tors. eta vs tors. theta energy: -82.270
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: 5
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -977.116492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.116492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.116492 (E_RNA)
where:
Base-Base interactions energy: -623.531
where: short stacking energy: -296.857
Base-Backbone interact. energy: -1.522
local terms energy: -352.063697
where:
bonds (distance) C4'-P energy: -59.215
bonds (distance) P-C4' energy: -64.517
flat angles C4'-P-C4' energy: -82.818
flat angles P-C4'-P energy: -60.239
tors. eta vs tors. theta energy: -85.274
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: 10
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -805.182571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.182571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.182571 (E_RNA)
where:
Base-Base interactions energy: -507.078
where: short stacking energy: -245.990
Base-Backbone interact. energy: -1.021
local terms energy: -297.083985
where:
bonds (distance) C4'-P energy: -63.377
bonds (distance) P-C4' energy: -71.909
flat angles C4'-P-C4' energy: -59.718
flat angles P-C4'-P energy: -41.513
tors. eta vs tors. theta energy: -60.566
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: 7, replica: 3
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -812.721546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.721546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.721546 (E_RNA)
where:
Base-Base interactions energy: -512.910
where: short stacking energy: -231.495
Base-Backbone interact. energy: -0.317
local terms energy: -299.494679
where:
bonds (distance) C4'-P energy: -57.084
bonds (distance) P-C4' energy: -57.046
flat angles C4'-P-C4' energy: -79.263
flat angles P-C4'-P energy: -38.569
tors. eta vs tors. theta energy: -67.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -656.336898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.336898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.336898 (E_RNA)
where:
Base-Base interactions energy: -396.320
where: short stacking energy: -190.287
Base-Backbone interact. energy: -0.368
local terms energy: -259.649164
where:
bonds (distance) C4'-P energy: -65.036
bonds (distance) P-C4' energy: -50.931
flat angles C4'-P-C4' energy: -64.699
flat angles P-C4'-P energy: -35.593
tors. eta vs tors. theta energy: -43.391
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: 8
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -453.576469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.576469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.576469 (E_RNA)
where:
Base-Base interactions energy: -227.567
where: short stacking energy: -110.958
Base-Backbone interact. energy: -1.400
local terms energy: -224.609674
where:
bonds (distance) C4'-P energy: -70.841
bonds (distance) P-C4' energy: -60.482
flat angles C4'-P-C4' energy: -42.758
flat angles P-C4'-P energy: -45.442
tors. eta vs tors. theta energy: -5.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -463.904810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.904810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.904810 (E_RNA)
where:
Base-Base interactions energy: -265.157
where: short stacking energy: -113.870
Base-Backbone interact. energy: -1.590
local terms energy: -197.157402
where:
bonds (distance) C4'-P energy: -38.050
bonds (distance) P-C4' energy: -62.150
flat angles C4'-P-C4' energy: -59.508
flat angles P-C4'-P energy: -27.749
tors. eta vs tors. theta energy: -9.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1299.354350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.354350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.354350 (E_RNA)
where:
Base-Base interactions energy: -897.190
where: short stacking energy: -378.037
Base-Backbone interact. energy: -0.231
local terms energy: -401.932528
where:
bonds (distance) C4'-P energy: -63.993
bonds (distance) P-C4' energy: -78.801
flat angles C4'-P-C4' energy: -88.908
flat angles P-C4'-P energy: -55.448
tors. eta vs tors. theta energy: -114.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1274.115391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.115391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.115391 (E_RNA)
where:
Base-Base interactions energy: -850.491
where: short stacking energy: -358.371
Base-Backbone interact. energy: -4.244
local terms energy: -419.380185
where:
bonds (distance) C4'-P energy: -74.477
bonds (distance) P-C4' energy: -77.212
flat angles C4'-P-C4' energy: -84.985
flat angles P-C4'-P energy: -65.493
tors. eta vs tors. theta energy: -117.213
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: 3, replica: 9
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1195.854927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.854927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.854927 (E_RNA)
where:
Base-Base interactions energy: -789.936
where: short stacking energy: -341.822
Base-Backbone interact. energy: -1.220
local terms energy: -404.698840
where:
bonds (distance) C4'-P energy: -75.729
bonds (distance) P-C4' energy: -73.878
flat angles C4'-P-C4' energy: -87.816
flat angles P-C4'-P energy: -58.285
tors. eta vs tors. theta energy: -108.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -1096.579682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.579682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.579682 (E_RNA)
where:
Base-Base interactions energy: -742.627
where: short stacking energy: -305.642
Base-Backbone interact. energy: 1.209
local terms energy: -355.160866
where:
bonds (distance) C4'-P energy: -68.737
bonds (distance) P-C4' energy: -63.567
flat angles C4'-P-C4' energy: -77.435
flat angles P-C4'-P energy: -53.350
tors. eta vs tors. theta energy: -92.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -946.361239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.361239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.361239 (E_RNA)
where:
Base-Base interactions energy: -621.701
where: short stacking energy: -281.374
Base-Backbone interact. energy: -0.507
local terms energy: -324.152641
where:
bonds (distance) C4'-P energy: -65.186
bonds (distance) P-C4' energy: -62.968
flat angles C4'-P-C4' energy: -65.450
flat angles P-C4'-P energy: -56.266
tors. eta vs tors. theta energy: -74.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -826.642314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.642314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.642314 (E_RNA)
where:
Base-Base interactions energy: -508.093
where: short stacking energy: -239.962
Base-Backbone interact. energy: 0.536
local terms energy: -319.085829
where:
bonds (distance) C4'-P energy: -67.786
bonds (distance) P-C4' energy: -77.434
flat angles C4'-P-C4' energy: -71.952
flat angles P-C4'-P energy: -40.067
tors. eta vs tors. theta energy: -61.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -815.730313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.730313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.730313 (E_RNA)
where:
Base-Base interactions energy: -517.074
where: short stacking energy: -225.329
Base-Backbone interact. energy: -1.287
local terms energy: -297.369672
where:
bonds (distance) C4'-P energy: -63.568
bonds (distance) P-C4' energy: -58.648
flat angles C4'-P-C4' energy: -69.351
flat angles P-C4'-P energy: -46.941
tors. eta vs tors. theta energy: -58.863
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: 448
Temperature: 1.250000
Total energy: -636.333185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.333185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.333185 (E_RNA)
where:
Base-Base interactions energy: -388.096
where: short stacking energy: -186.897
Base-Backbone interact. energy: 1.159
local terms energy: -249.396193
where:
bonds (distance) C4'-P energy: -56.082
bonds (distance) P-C4' energy: -68.408
flat angles C4'-P-C4' energy: -55.727
flat angles P-C4'-P energy: -28.519
tors. eta vs tors. theta energy: -40.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -455.790049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.790049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.790049 (E_RNA)
where:
Base-Base interactions energy: -254.499
where: short stacking energy: -124.718
Base-Backbone interact. energy: 2.386
local terms energy: -203.677081
where:
bonds (distance) C4'-P energy: -60.903
bonds (distance) P-C4' energy: -60.896
flat angles C4'-P-C4' energy: -59.944
flat angles P-C4'-P energy: -23.399
tors. eta vs tors. theta energy: 1.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -457.659868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.659868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.659868 (E_RNA)
where:
Base-Base interactions energy: -232.852
where: short stacking energy: -132.740
Base-Backbone interact. energy: 3.278
local terms energy: -228.085709
where:
bonds (distance) C4'-P energy: -50.677
bonds (distance) P-C4' energy: -58.720
flat angles C4'-P-C4' energy: -61.285
flat angles P-C4'-P energy: -43.150
tors. eta vs tors. theta energy: -14.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1314.918465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.918465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.918465 (E_RNA)
where:
Base-Base interactions energy: -918.210
where: short stacking energy: -389.189
Base-Backbone interact. energy: -0.931
local terms energy: -395.777528
where:
bonds (distance) C4'-P energy: -73.456
bonds (distance) P-C4' energy: -70.035
flat angles C4'-P-C4' energy: -76.224
flat angles P-C4'-P energy: -61.406
tors. eta vs tors. theta energy: -114.656
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: 1
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1266.587766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.587766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.587766 (E_RNA)
where:
Base-Base interactions energy: -862.307
where: short stacking energy: -364.091
Base-Backbone interact. energy: -4.684
local terms energy: -399.597100
where:
bonds (distance) C4'-P energy: -65.705
bonds (distance) P-C4' energy: -79.866
flat angles C4'-P-C4' energy: -79.700
flat angles P-C4'-P energy: -54.075
tors. eta vs tors. theta energy: -120.251
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: 9
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1221.656110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.656110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.656110 (E_RNA)
where:
Base-Base interactions energy: -844.753
where: short stacking energy: -359.323
Base-Backbone interact. energy: 3.596
local terms energy: -380.498571
where:
bonds (distance) C4'-P energy: -65.368
bonds (distance) P-C4' energy: -77.557
flat angles C4'-P-C4' energy: -84.624
flat angles P-C4'-P energy: -46.196
tors. eta vs tors. theta energy: -106.754
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: 7
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1092.165375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.165375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.165375 (E_RNA)
where:
Base-Base interactions energy: -745.176
where: short stacking energy: -303.209
Base-Backbone interact. energy: -0.157
local terms energy: -346.831787
where:
bonds (distance) C4'-P energy: -68.643
bonds (distance) P-C4' energy: -62.447
flat angles C4'-P-C4' energy: -77.256
flat angles P-C4'-P energy: -51.523
tors. eta vs tors. theta energy: -86.963
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: 5, replica: 5
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -925.511393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.511393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.511393 (E_RNA)
where:
Base-Base interactions energy: -602.391
where: short stacking energy: -274.776
Base-Backbone interact. energy: 3.372
local terms energy: -326.492078
where:
bonds (distance) C4'-P energy: -66.774
bonds (distance) P-C4' energy: -79.181
flat angles C4'-P-C4' energy: -64.584
flat angles P-C4'-P energy: -45.454
tors. eta vs tors. theta energy: -70.500
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: 3
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -833.769992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.769992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.769992 (E_RNA)
where:
Base-Base interactions energy: -540.681
where: short stacking energy: -230.623
Base-Backbone interact. energy: -0.582
local terms energy: -292.506292
where:
bonds (distance) C4'-P energy: -58.453
bonds (distance) P-C4' energy: -67.115
flat angles C4'-P-C4' energy: -60.666
flat angles P-C4'-P energy: -35.804
tors. eta vs tors. theta energy: -70.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -819.232277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.232277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.232277 (E_RNA)
where:
Base-Base interactions energy: -518.478
where: short stacking energy: -254.974
Base-Backbone interact. energy: 0.474
local terms energy: -301.228410
where:
bonds (distance) C4'-P energy: -63.123
bonds (distance) P-C4' energy: -67.530
flat angles C4'-P-C4' energy: -69.426
flat angles P-C4'-P energy: -34.479
tors. eta vs tors. theta energy: -66.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -677.902413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.902413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.902413 (E_RNA)
where:
Base-Base interactions energy: -413.127
where: short stacking energy: -197.504
Base-Backbone interact. energy: -1.720
local terms energy: -263.055369
where:
bonds (distance) C4'-P energy: -62.797
bonds (distance) P-C4' energy: -61.373
flat angles C4'-P-C4' energy: -62.381
flat angles P-C4'-P energy: -36.804
tors. eta vs tors. theta energy: -39.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -471.964697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.964697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.964697 (E_RNA)
where:
Base-Base interactions energy: -245.070
where: short stacking energy: -127.125
Base-Backbone interact. energy: 1.199
local terms energy: -228.094135
where:
bonds (distance) C4'-P energy: -62.850
bonds (distance) P-C4' energy: -64.958
flat angles C4'-P-C4' energy: -61.649
flat angles P-C4'-P energy: -31.256
tors. eta vs tors. theta energy: -7.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -440.859649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.859649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.859649 (E_RNA)
where:
Base-Base interactions energy: -231.781
where: short stacking energy: -116.754
Base-Backbone interact. energy: 3.191
local terms energy: -212.269503
where:
bonds (distance) C4'-P energy: -59.669
bonds (distance) P-C4' energy: -59.341
flat angles C4'-P-C4' energy: -53.631
flat angles P-C4'-P energy: -39.610
tors. eta vs tors. theta energy: -0.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1289.745881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.745881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.745881 (E_RNA)
where:
Base-Base interactions energy: -894.276
where: short stacking energy: -374.349
Base-Backbone interact. energy: -2.045
local terms energy: -393.425286
where:
bonds (distance) C4'-P energy: -71.204
bonds (distance) P-C4' energy: -70.909
flat angles C4'-P-C4' energy: -75.367
flat angles P-C4'-P energy: -68.538
tors. eta vs tors. theta energy: -107.407
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: 1
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1242.477920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.477920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.477920 (E_RNA)
where:
Base-Base interactions energy: -845.907
where: short stacking energy: -354.703
Base-Backbone interact. energy: -3.610
local terms energy: -392.960795
where:
bonds (distance) C4'-P energy: -65.515
bonds (distance) P-C4' energy: -78.957
flat angles C4'-P-C4' energy: -73.866
flat angles P-C4'-P energy: -63.206
tors. eta vs tors. theta energy: -111.417
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: 9
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1249.982622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.982622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.982622 (E_RNA)
where:
Base-Base interactions energy: -862.140
where: short stacking energy: -378.691
Base-Backbone interact. energy: 0.478
local terms energy: -388.320534
where:
bonds (distance) C4'-P energy: -71.949
bonds (distance) P-C4' energy: -63.998
flat angles C4'-P-C4' energy: -88.307
flat angles P-C4'-P energy: -54.595
tors. eta vs tors. theta energy: -109.471
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: 4, replica: 7
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -1087.808528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.808528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.808528 (E_RNA)
where:
Base-Base interactions energy: -742.663
where: short stacking energy: -294.234
Base-Backbone interact. energy: -0.196
local terms energy: -344.949456
where:
bonds (distance) C4'-P energy: -66.205
bonds (distance) P-C4' energy: -74.049
flat angles C4'-P-C4' energy: -75.976
flat angles P-C4'-P energy: -44.130
tors. eta vs tors. theta energy: -84.590
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: 450
Temperature: 1.100000
Total energy: -894.802696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.802696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.802696 (E_RNA)
where:
Base-Base interactions energy: -563.477
where: short stacking energy: -269.500
Base-Backbone interact. energy: -1.318
local terms energy: -330.007308
where:
bonds (distance) C4'-P energy: -66.312
bonds (distance) P-C4' energy: -69.340
flat angles C4'-P-C4' energy: -74.932
flat angles P-C4'-P energy: -44.072
tors. eta vs tors. theta energy: -75.351
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: 5
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -904.556334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.556334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.556334 (E_RNA)
where:
Base-Base interactions energy: -576.337
where: short stacking energy: -270.303
Base-Backbone interact. energy: -0.394
local terms energy: -327.825267
where:
bonds (distance) C4'-P energy: -66.273
bonds (distance) P-C4' energy: -56.586
flat angles C4'-P-C4' energy: -70.524
flat angles P-C4'-P energy: -52.306
tors. eta vs tors. theta energy: -82.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -834.361656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.361656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.361656 (E_RNA)
where:
Base-Base interactions energy: -526.883
where: short stacking energy: -231.446
Base-Backbone interact. energy: -2.712
local terms energy: -304.767330
where:
bonds (distance) C4'-P energy: -63.515
bonds (distance) P-C4' energy: -76.939
flat angles C4'-P-C4' energy: -70.001
flat angles P-C4'-P energy: -40.366
tors. eta vs tors. theta energy: -53.946
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: 6
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -661.530455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.530455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.530455 (E_RNA)
where:
Base-Base interactions energy: -394.100
where: short stacking energy: -192.895
Base-Backbone interact. energy: 1.679
local terms energy: -269.108751
where:
bonds (distance) C4'-P energy: -56.150
bonds (distance) P-C4' energy: -62.512
flat angles C4'-P-C4' energy: -66.521
flat angles P-C4'-P energy: -47.267
tors. eta vs tors. theta energy: -36.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -467.288678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.288678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.288678 (E_RNA)
where:
Base-Base interactions energy: -239.095
where: short stacking energy: -127.789
Base-Backbone interact. energy: 0.239
local terms energy: -228.432484
where:
bonds (distance) C4'-P energy: -59.057
bonds (distance) P-C4' energy: -69.098
flat angles C4'-P-C4' energy: -56.713
flat angles P-C4'-P energy: -38.526
tors. eta vs tors. theta energy: -5.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -458.988079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.988079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.988079 (E_RNA)
where:
Base-Base interactions energy: -244.166
where: short stacking energy: -129.409
Base-Backbone interact. energy: 3.605
local terms energy: -218.426531
where:
bonds (distance) C4'-P energy: -66.729
bonds (distance) P-C4' energy: -65.040
flat angles C4'-P-C4' energy: -52.139
flat angles P-C4'-P energy: -24.128
tors. eta vs tors. theta energy: -10.390
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: 2
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1296.175200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.175200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.175200 (E_RNA)
where:
Base-Base interactions energy: -879.700
where: short stacking energy: -369.201
Base-Backbone interact. energy: -0.515
local terms energy: -415.959584
where:
bonds (distance) C4'-P energy: -78.976
bonds (distance) P-C4' energy: -75.180
flat angles C4'-P-C4' energy: -80.733
flat angles P-C4'-P energy: -61.961
tors. eta vs tors. theta energy: -119.110
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: 1
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1257.487776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.487776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.487776 (E_RNA)
where:
Base-Base interactions energy: -853.647
where: short stacking energy: -353.348
Base-Backbone interact. energy: -1.745
local terms energy: -402.095466
where:
bonds (distance) C4'-P energy: -74.658
bonds (distance) P-C4' energy: -74.074
flat angles C4'-P-C4' energy: -84.519
flat angles P-C4'-P energy: -60.074
tors. eta vs tors. theta energy: -108.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1221.655924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.655924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.655924 (E_RNA)
where:
Base-Base interactions energy: -846.282
where: short stacking energy: -361.920
Base-Backbone interact. energy: -1.438
local terms energy: -373.936018
where:
bonds (distance) C4'-P energy: -67.685
bonds (distance) P-C4' energy: -67.593
flat angles C4'-P-C4' energy: -80.827
flat angles P-C4'-P energy: -54.971
tors. eta vs tors. theta energy: -102.860
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: 7
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -1093.642028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.642028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.642028 (E_RNA)
where:
Base-Base interactions energy: -758.105
where: short stacking energy: -290.582
Base-Backbone interact. energy: 2.521
local terms energy: -338.058167
where:
bonds (distance) C4'-P energy: -64.039
bonds (distance) P-C4' energy: -74.449
flat angles C4'-P-C4' energy: -81.353
flat angles P-C4'-P energy: -49.310
tors. eta vs tors. theta energy: -68.907
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: 3
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -866.182684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.182684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.182684 (E_RNA)
where:
Base-Base interactions energy: -541.700
where: short stacking energy: -239.242
Base-Backbone interact. energy: -0.478
local terms energy: -324.005296
where:
bonds (distance) C4'-P energy: -68.589
bonds (distance) P-C4' energy: -64.878
flat angles C4'-P-C4' energy: -70.831
flat angles P-C4'-P energy: -50.545
tors. eta vs tors. theta energy: -69.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -879.560263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.560263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.560263 (E_RNA)
where:
Base-Base interactions energy: -573.149
where: short stacking energy: -264.429
Base-Backbone interact. energy: -1.170
local terms energy: -305.241833
where:
bonds (distance) C4'-P energy: -70.509
bonds (distance) P-C4' energy: -48.719
flat angles C4'-P-C4' energy: -69.047
flat angles P-C4'-P energy: -50.147
tors. eta vs tors. theta energy: -66.820
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: 451
Temperature: 1.200000
Total energy: -817.423676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.423676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.423676 (E_RNA)
where:
Base-Base interactions energy: -522.481
where: short stacking energy: -237.553
Base-Backbone interact. energy: -0.536
local terms energy: -294.406236
where:
bonds (distance) C4'-P energy: -51.729
bonds (distance) P-C4' energy: -62.743
flat angles C4'-P-C4' energy: -65.982
flat angles P-C4'-P energy: -51.911
tors. eta vs tors. theta energy: -62.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -650.982249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.982249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.982249 (E_RNA)
where:
Base-Base interactions energy: -388.090
where: short stacking energy: -179.399
Base-Backbone interact. energy: -1.296
local terms energy: -261.596144
where:
bonds (distance) C4'-P energy: -65.741
bonds (distance) P-C4' energy: -68.622
flat angles C4'-P-C4' energy: -60.137
flat angles P-C4'-P energy: -36.318
tors. eta vs tors. theta energy: -30.778
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: 8
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -488.561634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.561634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.561634 (E_RNA)
where:
Base-Base interactions energy: -265.988
where: short stacking energy: -150.652
Base-Backbone interact. energy: -2.023
local terms energy: -220.550779
where:
bonds (distance) C4'-P energy: -60.056
bonds (distance) P-C4' energy: -63.955
flat angles C4'-P-C4' energy: -57.994
flat angles P-C4'-P energy: -27.248
tors. eta vs tors. theta energy: -11.298
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: 4
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -427.530416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.530416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.530416 (E_RNA)
where:
Base-Base interactions energy: -212.208
where: short stacking energy: -134.619
Base-Backbone interact. energy: 3.600
local terms energy: -218.922664
where:
bonds (distance) C4'-P energy: -58.936
bonds (distance) P-C4' energy: -59.403
flat angles C4'-P-C4' energy: -50.561
flat angles P-C4'-P energy: -36.019
tors. eta vs tors. theta energy: -14.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1320.146533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.146533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.146533 (E_RNA)
where:
Base-Base interactions energy: -915.269
where: short stacking energy: -394.000
Base-Backbone interact. energy: -1.992
local terms energy: -402.885719
where:
bonds (distance) C4'-P energy: -70.594
bonds (distance) P-C4' energy: -75.014
flat angles C4'-P-C4' energy: -84.058
flat angles P-C4'-P energy: -54.959
tors. eta vs tors. theta energy: -118.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1248.636437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.636437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.636437 (E_RNA)
where:
Base-Base interactions energy: -847.076
where: short stacking energy: -340.004
Base-Backbone interact. energy: -3.056
local terms energy: -398.505321
where:
bonds (distance) C4'-P energy: -74.572
bonds (distance) P-C4' energy: -76.090
flat angles C4'-P-C4' energy: -81.294
flat angles P-C4'-P energy: -58.760
tors. eta vs tors. theta energy: -107.790
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: 452
Temperature: 1.000000
Total energy: -1206.867550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.867550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.867550 (E_RNA)
where:
Base-Base interactions energy: -819.797
where: short stacking energy: -362.704
Base-Backbone interact. energy: -1.364
local terms energy: -385.706457
where:
bonds (distance) C4'-P energy: -63.116
bonds (distance) P-C4' energy: -74.556
flat angles C4'-P-C4' energy: -76.268
flat angles P-C4'-P energy: -58.020
tors. eta vs tors. theta energy: -113.746
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: 7
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1111.057195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.057195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.057195 (E_RNA)
where:
Base-Base interactions energy: -759.758
where: short stacking energy: -296.735
Base-Backbone interact. energy: -1.230
local terms energy: -350.069599
where:
bonds (distance) C4'-P energy: -79.494
bonds (distance) P-C4' energy: -62.039
flat angles C4'-P-C4' energy: -77.048
flat angles P-C4'-P energy: -45.068
tors. eta vs tors. theta energy: -86.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -913.676732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.676732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.676732 (E_RNA)
where:
Base-Base interactions energy: -591.643
where: short stacking energy: -238.581
Base-Backbone interact. energy: 0.970
local terms energy: -323.004156
where:
bonds (distance) C4'-P energy: -71.321
bonds (distance) P-C4' energy: -68.981
flat angles C4'-P-C4' energy: -78.860
flat angles P-C4'-P energy: -47.504
tors. eta vs tors. theta energy: -56.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -847.695129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.695129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.695129 (E_RNA)
where:
Base-Base interactions energy: -527.384
where: short stacking energy: -236.343
Base-Backbone interact. energy: -1.176
local terms energy: -319.135136
where:
bonds (distance) C4'-P energy: -60.906
bonds (distance) P-C4' energy: -78.520
flat angles C4'-P-C4' energy: -68.458
flat angles P-C4'-P energy: -45.280
tors. eta vs tors. theta energy: -65.971
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: 7, replica: 10
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -850.214512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.214512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.214512 (E_RNA)
where:
Base-Base interactions energy: -540.339
where: short stacking energy: -250.332
Base-Backbone interact. energy: -0.784
local terms energy: -309.091090
where:
bonds (distance) C4'-P energy: -60.088
bonds (distance) P-C4' energy: -57.595
flat angles C4'-P-C4' energy: -78.012
flat angles P-C4'-P energy: -45.930
tors. eta vs tors. theta energy: -67.466
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: 8, replica: 6
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -657.935168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.935168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.935168 (E_RNA)
where:
Base-Base interactions energy: -386.485
where: short stacking energy: -179.685
Base-Backbone interact. energy: -0.031
local terms energy: -271.419176
where:
bonds (distance) C4'-P energy: -58.351
bonds (distance) P-C4' energy: -65.803
flat angles C4'-P-C4' energy: -57.468
flat angles P-C4'-P energy: -48.142
tors. eta vs tors. theta energy: -41.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -437.873648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.873648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.873648 (E_RNA)
where:
Base-Base interactions energy: -212.431
where: short stacking energy: -115.492
Base-Backbone interact. energy: -0.909
local terms energy: -224.533984
where:
bonds (distance) C4'-P energy: -66.261
bonds (distance) P-C4' energy: -69.935
flat angles C4'-P-C4' energy: -52.736
flat angles P-C4'-P energy: -24.262
tors. eta vs tors. theta energy: -11.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -489.362891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.362891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.362891 (E_RNA)
where:
Base-Base interactions energy: -268.494
where: short stacking energy: -147.155
Base-Backbone interact. energy: 3.705
local terms energy: -224.574304
where:
bonds (distance) C4'-P energy: -63.890
bonds (distance) P-C4' energy: -44.768
flat angles C4'-P-C4' energy: -60.219
flat angles P-C4'-P energy: -26.866
tors. eta vs tors. theta energy: -28.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1312.380204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.380204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.380204 (E_RNA)
where:
Base-Base interactions energy: -906.131
where: short stacking energy: -391.778
Base-Backbone interact. energy: 0.763
local terms energy: -407.012579
where:
bonds (distance) C4'-P energy: -72.651
bonds (distance) P-C4' energy: -75.325
flat angles C4'-P-C4' energy: -84.751
flat angles P-C4'-P energy: -58.699
tors. eta vs tors. theta energy: -115.586
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: 2, replica: 1
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -1232.596848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.596848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.596848 (E_RNA)
where:
Base-Base interactions energy: -818.647
where: short stacking energy: -348.364
Base-Backbone interact. energy: -0.594
local terms energy: -413.355530
where:
bonds (distance) C4'-P energy: -82.147
bonds (distance) P-C4' energy: -79.923
flat angles C4'-P-C4' energy: -84.125
flat angles P-C4'-P energy: -56.154
tors. eta vs tors. theta energy: -111.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1255.976017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.976017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.976017 (E_RNA)
where:
Base-Base interactions energy: -866.265
where: short stacking energy: -343.693
Base-Backbone interact. energy: -1.187
local terms energy: -388.524118
where:
bonds (distance) C4'-P energy: -71.581
bonds (distance) P-C4' energy: -64.370
flat angles C4'-P-C4' energy: -83.813
flat angles P-C4'-P energy: -61.937
tors. eta vs tors. theta energy: -106.823
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: 7
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1099.591001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.591001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.591001 (E_RNA)
where:
Base-Base interactions energy: -761.132
where: short stacking energy: -312.439
Base-Backbone interact. energy: -2.190
local terms energy: -336.268965
where:
bonds (distance) C4'-P energy: -61.116
bonds (distance) P-C4' energy: -60.439
flat angles C4'-P-C4' energy: -76.383
flat angles P-C4'-P energy: -48.374
tors. eta vs tors. theta energy: -89.957
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: 5
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -911.919165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.919165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.919165 (E_RNA)
where:
Base-Base interactions energy: -583.456
where: short stacking energy: -262.345
Base-Backbone interact. energy: -0.143
local terms energy: -328.320956
where:
bonds (distance) C4'-P energy: -72.152
bonds (distance) P-C4' energy: -71.820
flat angles C4'-P-C4' energy: -67.003
flat angles P-C4'-P energy: -52.821
tors. eta vs tors. theta energy: -64.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -861.001447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.001447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.001447 (E_RNA)
where:
Base-Base interactions energy: -571.611
where: short stacking energy: -256.125
Base-Backbone interact. energy: 1.669
local terms energy: -291.059988
where:
bonds (distance) C4'-P energy: -75.655
bonds (distance) P-C4' energy: -41.529
flat angles C4'-P-C4' energy: -74.537
flat angles P-C4'-P energy: -42.074
tors. eta vs tors. theta energy: -57.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -835.145937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.145937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.145937 (E_RNA)
where:
Base-Base interactions energy: -543.777
where: short stacking energy: -242.898
Base-Backbone interact. energy: -0.901
local terms energy: -290.467661
where:
bonds (distance) C4'-P energy: -59.743
bonds (distance) P-C4' energy: -68.099
flat angles C4'-P-C4' energy: -68.839
flat angles P-C4'-P energy: -37.935
tors. eta vs tors. theta energy: -55.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -642.312905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.312905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.312905 (E_RNA)
where:
Base-Base interactions energy: -366.714
where: short stacking energy: -189.552
Base-Backbone interact. energy: -0.827
local terms energy: -274.772236
where:
bonds (distance) C4'-P energy: -74.787
bonds (distance) P-C4' energy: -64.493
flat angles C4'-P-C4' energy: -77.772
flat angles P-C4'-P energy: -34.382
tors. eta vs tors. theta energy: -23.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -474.101455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.101455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.101455 (E_RNA)
where:
Base-Base interactions energy: -259.458
where: short stacking energy: -128.597
Base-Backbone interact. energy: 2.598
local terms energy: -217.241566
where:
bonds (distance) C4'-P energy: -38.878
bonds (distance) P-C4' energy: -73.211
flat angles C4'-P-C4' energy: -62.384
flat angles P-C4'-P energy: -34.381
tors. eta vs tors. theta energy: -8.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -445.718277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.718277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.718277 (E_RNA)
where:
Base-Base interactions energy: -225.107
where: short stacking energy: -122.458
Base-Backbone interact. energy: -0.757
local terms energy: -219.854860
where:
bonds (distance) C4'-P energy: -60.411
bonds (distance) P-C4' energy: -61.950
flat angles C4'-P-C4' energy: -53.289
flat angles P-C4'-P energy: -28.197
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: 1, replica: 2
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1327.570751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.570751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.570751 (E_RNA)
where:
Base-Base interactions energy: -917.148
where: short stacking energy: -383.700
Base-Backbone interact. energy: -1.358
local terms energy: -409.064614
where:
bonds (distance) C4'-P energy: -65.751
bonds (distance) P-C4' energy: -79.694
flat angles C4'-P-C4' energy: -91.368
flat angles P-C4'-P energy: -52.540
tors. eta vs tors. theta energy: -119.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1256.771063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.771063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.771063 (E_RNA)
where:
Base-Base interactions energy: -852.196
where: short stacking energy: -361.046
Base-Backbone interact. energy: -2.164
local terms energy: -402.411215
where:
bonds (distance) C4'-P energy: -67.985
bonds (distance) P-C4' energy: -75.021
flat angles C4'-P-C4' energy: -83.213
flat angles P-C4'-P energy: -56.348
tors. eta vs tors. theta energy: -119.844
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: 9
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1198.949451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.949451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.949451 (E_RNA)
where:
Base-Base interactions energy: -805.934
where: short stacking energy: -350.691
Base-Backbone interact. energy: 0.100
local terms energy: -393.114971
where:
bonds (distance) C4'-P energy: -72.088
bonds (distance) P-C4' energy: -75.007
flat angles C4'-P-C4' energy: -80.130
flat angles P-C4'-P energy: -55.093
tors. eta vs tors. theta energy: -110.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1092.982995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.982995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.982995 (E_RNA)
where:
Base-Base interactions energy: -736.496
where: short stacking energy: -307.534
Base-Backbone interact. energy: -0.361
local terms energy: -356.125323
where:
bonds (distance) C4'-P energy: -73.007
bonds (distance) P-C4' energy: -69.160
flat angles C4'-P-C4' energy: -75.065
flat angles P-C4'-P energy: -46.360
tors. eta vs tors. theta energy: -92.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -930.310048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.310048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.310048 (E_RNA)
where:
Base-Base interactions energy: -605.225
where: short stacking energy: -257.095
Base-Backbone interact. energy: 3.571
local terms energy: -328.656180
where:
bonds (distance) C4'-P energy: -69.039
bonds (distance) P-C4' energy: -67.556
flat angles C4'-P-C4' energy: -72.076
flat angles P-C4'-P energy: -45.825
tors. eta vs tors. theta energy: -74.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -869.387720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.387720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.387720 (E_RNA)
where:
Base-Base interactions energy: -556.829
where: short stacking energy: -248.580
Base-Backbone interact. energy: -1.139
local terms energy: -311.419398
where:
bonds (distance) C4'-P energy: -58.229
bonds (distance) P-C4' energy: -69.225
flat angles C4'-P-C4' energy: -68.198
flat angles P-C4'-P energy: -44.975
tors. eta vs tors. theta energy: -70.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -833.140132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.140132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.140132 (E_RNA)
where:
Base-Base interactions energy: -535.023
where: short stacking energy: -249.255
Base-Backbone interact. energy: -2.773
local terms energy: -295.343765
where:
bonds (distance) C4'-P energy: -59.228
bonds (distance) P-C4' energy: -63.784
flat angles C4'-P-C4' energy: -63.988
flat angles P-C4'-P energy: -42.525
tors. eta vs tors. theta energy: -65.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -642.374622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.374622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.374622 (E_RNA)
where:
Base-Base interactions energy: -390.051
where: short stacking energy: -185.376
Base-Backbone interact. energy: 0.997
local terms energy: -253.320518
where:
bonds (distance) C4'-P energy: -58.831
bonds (distance) P-C4' energy: -62.360
flat angles C4'-P-C4' energy: -46.148
flat angles P-C4'-P energy: -48.245
tors. eta vs tors. theta energy: -37.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -490.945353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.945353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.945353 (E_RNA)
where:
Base-Base interactions energy: -283.321
where: short stacking energy: -139.021
Base-Backbone interact. energy: -0.579
local terms energy: -207.045755
where:
bonds (distance) C4'-P energy: -49.524
bonds (distance) P-C4' energy: -64.706
flat angles C4'-P-C4' energy: -59.816
flat angles P-C4'-P energy: -17.878
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: 10, replica: 8
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -448.275948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.275948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.275948 (E_RNA)
where:
Base-Base interactions energy: -246.696
where: short stacking energy: -139.259
Base-Backbone interact. energy: 2.155
local terms energy: -203.734729
where:
bonds (distance) C4'-P energy: -47.513
bonds (distance) P-C4' energy: -57.391
flat angles C4'-P-C4' energy: -51.303
flat angles P-C4'-P energy: -34.838
tors. eta vs tors. theta energy: -12.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1308.408657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.408657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.408657 (E_RNA)
where:
Base-Base interactions energy: -909.373
where: short stacking energy: -384.917
Base-Backbone interact. energy: -0.480
local terms energy: -398.555523
where:
bonds (distance) C4'-P energy: -70.902
bonds (distance) P-C4' energy: -68.960
flat angles C4'-P-C4' energy: -87.065
flat angles P-C4'-P energy: -53.565
tors. eta vs tors. theta energy: -118.062
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: 1
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1250.703010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.703010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.703010 (E_RNA)
where:
Base-Base interactions energy: -851.873
where: short stacking energy: -348.608
Base-Backbone interact. energy: -3.372
local terms energy: -395.458664
where:
bonds (distance) C4'-P energy: -67.581
bonds (distance) P-C4' energy: -77.690
flat angles C4'-P-C4' energy: -78.919
flat angles P-C4'-P energy: -57.622
tors. eta vs tors. theta energy: -113.647
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: 9
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1198.815715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.815715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.815715 (E_RNA)
where:
Base-Base interactions energy: -803.309
where: short stacking energy: -341.404
Base-Backbone interact. energy: -0.706
local terms energy: -394.800905
where:
bonds (distance) C4'-P energy: -69.618
bonds (distance) P-C4' energy: -79.355
flat angles C4'-P-C4' energy: -79.853
flat angles P-C4'-P energy: -58.393
tors. eta vs tors. theta energy: -107.583
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: 7
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1106.325793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.325793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.325793 (E_RNA)
where:
Base-Base interactions energy: -751.854
where: short stacking energy: -302.930
Base-Backbone interact. energy: -2.138
local terms energy: -352.333602
where:
bonds (distance) C4'-P energy: -65.802
bonds (distance) P-C4' energy: -71.725
flat angles C4'-P-C4' energy: -73.792
flat angles P-C4'-P energy: -52.937
tors. eta vs tors. theta energy: -88.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -995.216644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.216644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.216644 (E_RNA)
where:
Base-Base interactions energy: -664.818
where: short stacking energy: -297.317
Base-Backbone interact. energy: 0.807
local terms energy: -331.205767
where:
bonds (distance) C4'-P energy: -66.351
bonds (distance) P-C4' energy: -60.453
flat angles C4'-P-C4' energy: -64.889
flat angles P-C4'-P energy: -42.538
tors. eta vs tors. theta energy: -96.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -846.943923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.943923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.943923 (E_RNA)
where:
Base-Base interactions energy: -516.193
where: short stacking energy: -225.013
Base-Backbone interact. energy: -0.711
local terms energy: -330.039725
where:
bonds (distance) C4'-P energy: -74.946
bonds (distance) P-C4' energy: -76.309
flat angles C4'-P-C4' energy: -64.511
flat angles P-C4'-P energy: -47.858
tors. eta vs tors. theta energy: -66.416
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: 10
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -829.434018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.434018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.434018 (E_RNA)
where:
Base-Base interactions energy: -512.866
where: short stacking energy: -233.541
Base-Backbone interact. energy: -1.183
local terms energy: -315.384907
where:
bonds (distance) C4'-P energy: -62.093
bonds (distance) P-C4' energy: -69.736
flat angles C4'-P-C4' energy: -70.111
flat angles P-C4'-P energy: -43.762
tors. eta vs tors. theta energy: -69.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -610.480755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.480755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.480755 (E_RNA)
where:
Base-Base interactions energy: -361.364
where: short stacking energy: -171.624
Base-Backbone interact. energy: 1.164
local terms energy: -250.280778
where:
bonds (distance) C4'-P energy: -59.955
bonds (distance) P-C4' energy: -62.027
flat angles C4'-P-C4' energy: -52.563
flat angles P-C4'-P energy: -40.772
tors. eta vs tors. theta energy: -34.964
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: 4
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -460.824642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.824642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.824642 (E_RNA)
where:
Base-Base interactions energy: -241.645
where: short stacking energy: -129.011
Base-Backbone interact. energy: 0.472
local terms energy: -219.651660
where:
bonds (distance) C4'-P energy: -58.487
bonds (distance) P-C4' energy: -50.581
flat angles C4'-P-C4' energy: -53.587
flat angles P-C4'-P energy: -41.292
tors. eta vs tors. theta energy: -15.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -446.728110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.728110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.728110 (E_RNA)
where:
Base-Base interactions energy: -237.010
where: short stacking energy: -122.556
Base-Backbone interact. energy: -0.286
local terms energy: -209.432141
where:
bonds (distance) C4'-P energy: -61.491
bonds (distance) P-C4' energy: -61.259
flat angles C4'-P-C4' energy: -52.899
flat angles P-C4'-P energy: -34.588
tors. eta vs tors. theta energy: 0.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1298.801205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.801205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.801205 (E_RNA)
where:
Base-Base interactions energy: -900.768
where: short stacking energy: -380.491
Base-Backbone interact. energy: -0.237
local terms energy: -397.796198
where:
bonds (distance) C4'-P energy: -67.449
bonds (distance) P-C4' energy: -80.517
flat angles C4'-P-C4' energy: -77.453
flat angles P-C4'-P energy: -51.449
tors. eta vs tors. theta energy: -120.928
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: 1
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1240.714636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.714636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.714636 (E_RNA)
where:
Base-Base interactions energy: -852.640
where: short stacking energy: -365.177
Base-Backbone interact. energy: -3.992
local terms energy: -384.083001
where:
bonds (distance) C4'-P energy: -73.629
bonds (distance) P-C4' energy: -69.358
flat angles C4'-P-C4' energy: -75.507
flat angles P-C4'-P energy: -51.827
tors. eta vs tors. theta energy: -113.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1190.343534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.343534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.343534 (E_RNA)
where:
Base-Base interactions energy: -815.312
where: short stacking energy: -329.545
Base-Backbone interact. energy: -0.910
local terms energy: -374.121160
where:
bonds (distance) C4'-P energy: -61.322
bonds (distance) P-C4' energy: -68.544
flat angles C4'-P-C4' energy: -83.629
flat angles P-C4'-P energy: -50.763
tors. eta vs tors. theta energy: -109.863
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: 7
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1106.834900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.834900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.834900 (E_RNA)
where:
Base-Base interactions energy: -749.729
where: short stacking energy: -310.996
Base-Backbone interact. energy: 0.990
local terms energy: -358.095427
where:
bonds (distance) C4'-P energy: -60.792
bonds (distance) P-C4' energy: -82.885
flat angles C4'-P-C4' energy: -76.935
flat angles P-C4'-P energy: -48.861
tors. eta vs tors. theta energy: -88.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -954.261968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.261968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.261968 (E_RNA)
where:
Base-Base interactions energy: -625.633
where: short stacking energy: -287.916
Base-Backbone interact. energy: -0.388
local terms energy: -328.240358
where:
bonds (distance) C4'-P energy: -60.259
bonds (distance) P-C4' energy: -74.096
flat angles C4'-P-C4' energy: -65.446
flat angles P-C4'-P energy: -42.010
tors. eta vs tors. theta energy: -86.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -834.938137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.938137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.938137 (E_RNA)
where:
Base-Base interactions energy: -521.897
where: short stacking energy: -244.827
Base-Backbone interact. energy: -1.360
local terms energy: -311.680658
where:
bonds (distance) C4'-P energy: -75.095
bonds (distance) P-C4' energy: -51.761
flat angles C4'-P-C4' energy: -74.488
flat angles P-C4'-P energy: -45.316
tors. eta vs tors. theta energy: -65.020
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: 7, replica: 10
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -829.487778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.487778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.487778 (E_RNA)
where:
Base-Base interactions energy: -524.144
where: short stacking energy: -237.897
Base-Backbone interact. energy: 1.745
local terms energy: -307.088139
where:
bonds (distance) C4'-P energy: -66.036
bonds (distance) P-C4' energy: -61.129
flat angles C4'-P-C4' energy: -72.048
flat angles P-C4'-P energy: -40.100
tors. eta vs tors. theta energy: -67.775
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: 6
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -591.424912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.424912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.424912 (E_RNA)
where:
Base-Base interactions energy: -346.655
where: short stacking energy: -157.170
Base-Backbone interact. energy: -1.032
local terms energy: -243.737859
where:
bonds (distance) C4'-P energy: -64.480
bonds (distance) P-C4' energy: -61.851
flat angles C4'-P-C4' energy: -61.343
flat angles P-C4'-P energy: -36.237
tors. eta vs tors. theta energy: -19.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -475.977464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.977464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.977464 (E_RNA)
where:
Base-Base interactions energy: -240.606
where: short stacking energy: -134.439
Base-Backbone interact. energy: -0.948
local terms energy: -234.423368
where:
bonds (distance) C4'-P energy: -68.595
bonds (distance) P-C4' energy: -67.498
flat angles C4'-P-C4' energy: -53.541
flat angles P-C4'-P energy: -35.692
tors. eta vs tors. theta energy: -9.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -442.414703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.414703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.414703 (E_RNA)
where:
Base-Base interactions energy: -218.608
where: short stacking energy: -107.754
Base-Backbone interact. energy: -1.750
local terms energy: -222.056274
where:
bonds (distance) C4'-P energy: -66.884
bonds (distance) P-C4' energy: -59.790
flat angles C4'-P-C4' energy: -49.373
flat angles P-C4'-P energy: -44.865
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: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1308.211380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.211380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.211380 (E_RNA)
where:
Base-Base interactions energy: -905.813
where: short stacking energy: -384.196
Base-Backbone interact. energy: 0.598
local terms energy: -402.995562
where:
bonds (distance) C4'-P energy: -68.727
bonds (distance) P-C4' energy: -75.246
flat angles C4'-P-C4' energy: -80.284
flat angles P-C4'-P energy: -59.264
tors. eta vs tors. theta energy: -119.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1238.075141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.075141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.075141 (E_RNA)
where:
Base-Base interactions energy: -844.481
where: short stacking energy: -361.858
Base-Backbone interact. energy: -2.304
local terms energy: -391.290061
where:
bonds (distance) C4'-P energy: -70.363
bonds (distance) P-C4' energy: -72.123
flat angles C4'-P-C4' energy: -85.817
flat angles P-C4'-P energy: -50.164
tors. eta vs tors. theta energy: -112.823
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: 9
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1205.769040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.769040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.769040 (E_RNA)
where:
Base-Base interactions energy: -811.741
where: short stacking energy: -363.661
Base-Backbone interact. energy: -0.881
local terms energy: -393.146370
where:
bonds (distance) C4'-P energy: -67.926
bonds (distance) P-C4' energy: -77.961
flat angles C4'-P-C4' energy: -81.656
flat angles P-C4'-P energy: -54.324
tors. eta vs tors. theta energy: -111.279
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: 7
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1081.158315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.158315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.158315 (E_RNA)
where:
Base-Base interactions energy: -730.818
where: short stacking energy: -297.196
Base-Backbone interact. energy: 4.107
local terms energy: -354.447549
where:
bonds (distance) C4'-P energy: -65.913
bonds (distance) P-C4' energy: -67.280
flat angles C4'-P-C4' energy: -67.042
flat angles P-C4'-P energy: -59.752
tors. eta vs tors. theta energy: -94.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -957.694003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.694003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.694003 (E_RNA)
where:
Base-Base interactions energy: -614.049
where: short stacking energy: -274.890
Base-Backbone interact. energy: 0.273
local terms energy: -343.918074
where:
bonds (distance) C4'-P energy: -69.727
bonds (distance) P-C4' energy: -67.827
flat angles C4'-P-C4' energy: -75.440
flat angles P-C4'-P energy: -50.468
tors. eta vs tors. theta energy: -80.456
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: 6, replica: 10
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -867.847276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.847276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.847276 (E_RNA)
where:
Base-Base interactions energy: -542.690
where: short stacking energy: -246.507
Base-Backbone interact. energy: 0.251
local terms energy: -325.407847
where:
bonds (distance) C4'-P energy: -72.978
bonds (distance) P-C4' energy: -70.902
flat angles C4'-P-C4' energy: -66.982
flat angles P-C4'-P energy: -53.273
tors. eta vs tors. theta energy: -61.272
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: 457
Temperature: 1.200000
Total energy: -815.642095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.642095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.642095 (E_RNA)
where:
Base-Base interactions energy: -522.745
where: short stacking energy: -234.325
Base-Backbone interact. energy: -0.687
local terms energy: -292.209769
where:
bonds (distance) C4'-P energy: -65.614
bonds (distance) P-C4' energy: -73.204
flat angles C4'-P-C4' energy: -69.614
flat angles P-C4'-P energy: -27.241
tors. eta vs tors. theta energy: -56.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -587.759894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.759894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.759894 (E_RNA)
where:
Base-Base interactions energy: -338.421
where: short stacking energy: -185.809
Base-Backbone interact. energy: 0.061
local terms energy: -249.400216
where:
bonds (distance) C4'-P energy: -56.593
bonds (distance) P-C4' energy: -65.780
flat angles C4'-P-C4' energy: -64.237
flat angles P-C4'-P energy: -28.535
tors. eta vs tors. theta energy: -34.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -517.166700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.166700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.166700 (E_RNA)
where:
Base-Base interactions energy: -277.132
where: short stacking energy: -132.430
Base-Backbone interact. energy: -0.847
local terms energy: -239.187662
where:
bonds (distance) C4'-P energy: -60.786
bonds (distance) P-C4' energy: -65.858
flat angles C4'-P-C4' energy: -58.723
flat angles P-C4'-P energy: -35.616
tors. eta vs tors. theta energy: -18.205
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: 10, replica: 8
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -515.854817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.854817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.854817 (E_RNA)
where:
Base-Base interactions energy: -284.734
where: short stacking energy: -133.903
Base-Backbone interact. energy: -1.663
local terms energy: -229.457624
where:
bonds (distance) C4'-P energy: -59.260
bonds (distance) P-C4' energy: -64.754
flat angles C4'-P-C4' energy: -47.397
flat angles P-C4'-P energy: -48.763
tors. eta vs tors. theta energy: -9.283
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: 458
Temperature: 0.900000
Total energy: -1304.390980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.390980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.390980 (E_RNA)
where:
Base-Base interactions energy: -886.999
where: short stacking energy: -378.913
Base-Backbone interact. energy: -1.033
local terms energy: -416.359761
where:
bonds (distance) C4'-P energy: -67.426
bonds (distance) P-C4' energy: -79.880
flat angles C4'-P-C4' energy: -86.809
flat angles P-C4'-P energy: -64.632
tors. eta vs tors. theta energy: -117.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1218.763674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.763674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.763674 (E_RNA)
where:
Base-Base interactions energy: -830.562
where: short stacking energy: -343.674
Base-Backbone interact. energy: -1.933
local terms energy: -386.267888
where:
bonds (distance) C4'-P energy: -73.395
bonds (distance) P-C4' energy: -66.398
flat angles C4'-P-C4' energy: -82.188
flat angles P-C4'-P energy: -56.148
tors. eta vs tors. theta energy: -108.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -1215.113294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.113294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.113294 (E_RNA)
where:
Base-Base interactions energy: -821.284
where: short stacking energy: -358.261
Base-Backbone interact. energy: -0.660
local terms energy: -393.170047
where:
bonds (distance) C4'-P energy: -68.224
bonds (distance) P-C4' energy: -71.459
flat angles C4'-P-C4' energy: -82.990
flat angles P-C4'-P energy: -58.979
tors. eta vs tors. theta energy: -111.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1117.066694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.066694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.066694 (E_RNA)
where:
Base-Base interactions energy: -790.837
where: short stacking energy: -301.724
Base-Backbone interact. energy: -2.844
local terms energy: -323.385813
where:
bonds (distance) C4'-P energy: -62.550
bonds (distance) P-C4' energy: -44.331
flat angles C4'-P-C4' energy: -83.292
flat angles P-C4'-P energy: -44.158
tors. eta vs tors. theta energy: -89.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -946.679376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.679376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.679376 (E_RNA)
where:
Base-Base interactions energy: -601.806
where: short stacking energy: -277.192
Base-Backbone interact. energy: -2.598
local terms energy: -342.275579
where:
bonds (distance) C4'-P energy: -67.075
bonds (distance) P-C4' energy: -76.487
flat angles C4'-P-C4' energy: -66.901
flat angles P-C4'-P energy: -45.263
tors. eta vs tors. theta energy: -86.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -848.424523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.424523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.424523 (E_RNA)
where:
Base-Base interactions energy: -546.231
where: short stacking energy: -238.429
Base-Backbone interact. energy: -0.839
local terms energy: -301.354899
where:
bonds (distance) C4'-P energy: -61.708
bonds (distance) P-C4' energy: -66.273
flat angles C4'-P-C4' energy: -68.640
flat angles P-C4'-P energy: -44.576
tors. eta vs tors. theta energy: -60.158
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: 7, replica: 3
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -864.533279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.533279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.533279 (E_RNA)
where:
Base-Base interactions energy: -563.134
where: short stacking energy: -273.013
Base-Backbone interact. energy: -1.119
local terms energy: -300.280113
where:
bonds (distance) C4'-P energy: -51.826
bonds (distance) P-C4' energy: -66.169
flat angles C4'-P-C4' energy: -65.386
flat angles P-C4'-P energy: -41.830
tors. eta vs tors. theta energy: -75.069
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: 6
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -626.221504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.221504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.221504 (E_RNA)
where:
Base-Base interactions energy: -363.466
where: short stacking energy: -198.349
Base-Backbone interact. energy: -0.277
local terms energy: -262.478309
where:
bonds (distance) C4'-P energy: -56.802
bonds (distance) P-C4' energy: -67.049
flat angles C4'-P-C4' energy: -69.398
flat angles P-C4'-P energy: -37.523
tors. eta vs tors. theta energy: -31.706
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: 8
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -559.170846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.170846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.170846 (E_RNA)
where:
Base-Base interactions energy: -341.942
where: short stacking energy: -125.581
Base-Backbone interact. energy: -0.323
local terms energy: -216.905574
where:
bonds (distance) C4'-P energy: -53.854
bonds (distance) P-C4' energy: -64.981
flat angles C4'-P-C4' energy: -53.697
flat angles P-C4'-P energy: -30.981
tors. eta vs tors. theta energy: -13.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -529.268528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.268528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.268528 (E_RNA)
where:
Base-Base interactions energy: -297.205
where: short stacking energy: -139.167
Base-Backbone interact. energy: -2.310
local terms energy: -229.754306
where:
bonds (distance) C4'-P energy: -59.628
bonds (distance) P-C4' energy: -53.562
flat angles C4'-P-C4' energy: -69.069
flat angles P-C4'-P energy: -41.027
tors. eta vs tors. theta energy: -6.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1305.895684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.895684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.895684 (E_RNA)
where:
Base-Base interactions energy: -903.331
where: short stacking energy: -387.765
Base-Backbone interact. energy: -1.580
local terms energy: -400.985052
where:
bonds (distance) C4'-P energy: -76.810
bonds (distance) P-C4' energy: -72.400
flat angles C4'-P-C4' energy: -75.134
flat angles P-C4'-P energy: -57.145
tors. eta vs tors. theta energy: -119.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1269.496596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.496596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.496596 (E_RNA)
where:
Base-Base interactions energy: -859.178
where: short stacking energy: -386.249
Base-Backbone interact. energy: -0.196
local terms energy: -410.122942
where:
bonds (distance) C4'-P energy: -74.869
bonds (distance) P-C4' energy: -74.360
flat angles C4'-P-C4' energy: -81.403
flat angles P-C4'-P energy: -60.482
tors. eta vs tors. theta energy: -119.009
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: 3, replica: 1
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1179.337419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.337419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.337419 (E_RNA)
where:
Base-Base interactions energy: -790.257
where: short stacking energy: -340.450
Base-Backbone interact. energy: -4.219
local terms energy: -384.860737
where:
bonds (distance) C4'-P energy: -67.018
bonds (distance) P-C4' energy: -64.036
flat angles C4'-P-C4' energy: -89.679
flat angles P-C4'-P energy: -63.144
tors. eta vs tors. theta energy: -100.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1131.913321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.913321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.913321 (E_RNA)
where:
Base-Base interactions energy: -770.077
where: short stacking energy: -307.069
Base-Backbone interact. energy: -1.819
local terms energy: -360.017168
where:
bonds (distance) C4'-P energy: -71.724
bonds (distance) P-C4' energy: -70.245
flat angles C4'-P-C4' energy: -74.915
flat angles P-C4'-P energy: -44.485
tors. eta vs tors. theta energy: -98.648
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: 459
Temperature: 1.100000
Total energy: -938.519555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.519555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.519555 (E_RNA)
where:
Base-Base interactions energy: -608.898
where: short stacking energy: -294.418
Base-Backbone interact. energy: 0.200
local terms energy: -329.821558
where:
bonds (distance) C4'-P energy: -62.287
bonds (distance) P-C4' energy: -73.244
flat angles C4'-P-C4' energy: -70.829
flat angles P-C4'-P energy: -44.005
tors. eta vs tors. theta energy: -79.456
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: 6, replica: 10
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -869.475639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.475639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.475639 (E_RNA)
where:
Base-Base interactions energy: -552.190
where: short stacking energy: -239.073
Base-Backbone interact. energy: -1.723
local terms energy: -315.563018
where:
bonds (distance) C4'-P energy: -67.436
bonds (distance) P-C4' energy: -67.672
flat angles C4'-P-C4' energy: -79.864
flat angles P-C4'-P energy: -52.329
tors. eta vs tors. theta energy: -48.262
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: 3
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -878.114388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.114388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.114388 (E_RNA)
where:
Base-Base interactions energy: -560.443
where: short stacking energy: -275.894
Base-Backbone interact. energy: 0.771
local terms energy: -318.442759
where:
bonds (distance) C4'-P energy: -71.697
bonds (distance) P-C4' energy: -59.627
flat angles C4'-P-C4' energy: -72.248
flat angles P-C4'-P energy: -38.742
tors. eta vs tors. theta energy: -76.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -567.192012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.192012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.192012 (E_RNA)
where:
Base-Base interactions energy: -320.013
where: short stacking energy: -165.492
Base-Backbone interact. energy: -0.688
local terms energy: -246.491169
where:
bonds (distance) C4'-P energy: -62.693
bonds (distance) P-C4' energy: -67.930
flat angles C4'-P-C4' energy: -62.863
flat angles P-C4'-P energy: -25.703
tors. eta vs tors. theta energy: -27.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -489.883643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.883643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.883643 (E_RNA)
where:
Base-Base interactions energy: -237.959
where: short stacking energy: -141.986
Base-Backbone interact. energy: 0.587
local terms energy: -252.511608
where:
bonds (distance) C4'-P energy: -69.890
bonds (distance) P-C4' energy: -68.769
flat angles C4'-P-C4' energy: -62.348
flat angles P-C4'-P energy: -33.300
tors. eta vs tors. theta energy: -18.205
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: 10, replica: 4
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -527.952901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.952901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.952901 (E_RNA)
where:
Base-Base interactions energy: -294.539
where: short stacking energy: -142.812
Base-Backbone interact. energy: 0.461
local terms energy: -233.874917
where:
bonds (distance) C4'-P energy: -53.862
bonds (distance) P-C4' energy: -70.565
flat angles C4'-P-C4' energy: -58.917
flat angles P-C4'-P energy: -37.145
tors. eta vs tors. theta energy: -13.386
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: 1, replica: 2
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1305.367323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.367323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.367323 (E_RNA)
where:
Base-Base interactions energy: -890.575
where: short stacking energy: -378.246
Base-Backbone interact. energy: -0.887
local terms energy: -413.905647
where:
bonds (distance) C4'-P energy: -76.913
bonds (distance) P-C4' energy: -69.361
flat angles C4'-P-C4' energy: -79.669
flat angles P-C4'-P energy: -62.400
tors. eta vs tors. theta energy: -125.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1275.571828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.571828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.571828 (E_RNA)
where:
Base-Base interactions energy: -871.892
where: short stacking energy: -391.949
Base-Backbone interact. energy: 0.145
local terms energy: -403.825497
where:
bonds (distance) C4'-P energy: -67.141
bonds (distance) P-C4' energy: -66.979
flat angles C4'-P-C4' energy: -82.480
flat angles P-C4'-P energy: -56.386
tors. eta vs tors. theta energy: -130.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1225.304675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.304675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.304675 (E_RNA)
where:
Base-Base interactions energy: -841.045
where: short stacking energy: -360.988
Base-Backbone interact. energy: -1.960
local terms energy: -382.299517
where:
bonds (distance) C4'-P energy: -79.858
bonds (distance) P-C4' energy: -56.239
flat angles C4'-P-C4' energy: -89.331
flat angles P-C4'-P energy: -47.783
tors. eta vs tors. theta energy: -109.090
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: 4, replica: 7
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -1105.843429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.843429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.843429 (E_RNA)
where:
Base-Base interactions energy: -761.948
where: short stacking energy: -313.815
Base-Backbone interact. energy: -1.128
local terms energy: -342.766667
where:
bonds (distance) C4'-P energy: -75.714
bonds (distance) P-C4' energy: -60.131
flat angles C4'-P-C4' energy: -66.621
flat angles P-C4'-P energy: -49.137
tors. eta vs tors. theta energy: -91.163
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: 5
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -931.052064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.052064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.052064 (E_RNA)
where:
Base-Base interactions energy: -578.219
where: short stacking energy: -272.421
Base-Backbone interact. energy: 0.131
local terms energy: -352.963601
where:
bonds (distance) C4'-P energy: -71.637
bonds (distance) P-C4' energy: -70.591
flat angles C4'-P-C4' energy: -78.244
flat angles P-C4'-P energy: -52.782
tors. eta vs tors. theta energy: -79.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -880.696519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.696519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.696519 (E_RNA)
where:
Base-Base interactions energy: -571.420
where: short stacking energy: -240.951
Base-Backbone interact. energy: -1.949
local terms energy: -307.327225
where:
bonds (distance) C4'-P energy: -59.783
bonds (distance) P-C4' energy: -74.039
flat angles C4'-P-C4' energy: -61.326
flat angles P-C4'-P energy: -47.439
tors. eta vs tors. theta energy: -64.740
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: 7, replica: 3
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -803.888958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.888958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.888958 (E_RNA)
where:
Base-Base interactions energy: -506.688
where: short stacking energy: -234.811
Base-Backbone interact. energy: -0.745
local terms energy: -296.455549
where:
bonds (distance) C4'-P energy: -65.842
bonds (distance) P-C4' energy: -61.909
flat angles C4'-P-C4' energy: -66.157
flat angles P-C4'-P energy: -46.646
tors. eta vs tors. theta energy: -55.902
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: 8
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -604.612596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.612596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.612596 (E_RNA)
where:
Base-Base interactions energy: -332.792
where: short stacking energy: -162.721
Base-Backbone interact. energy: 1.441
local terms energy: -273.260807
where:
bonds (distance) C4'-P energy: -59.276
bonds (distance) P-C4' energy: -78.702
flat angles C4'-P-C4' energy: -69.086
flat angles P-C4'-P energy: -40.244
tors. eta vs tors. theta energy: -25.952
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: 9, replica: 6
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -446.406532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.406532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.406532 (E_RNA)
where:
Base-Base interactions energy: -229.854
where: short stacking energy: -114.843
Base-Backbone interact. energy: 0.071
local terms energy: -216.624104
where:
bonds (distance) C4'-P energy: -52.618
bonds (distance) P-C4' energy: -69.016
flat angles C4'-P-C4' energy: -53.023
flat angles P-C4'-P energy: -32.842
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: 10, replica: 4
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -500.527930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.527930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.527930 (E_RNA)
where:
Base-Base interactions energy: -256.339
where: short stacking energy: -126.464
Base-Backbone interact. energy: 1.799
local terms energy: -245.988631
where:
bonds (distance) C4'-P energy: -63.911
bonds (distance) P-C4' energy: -71.675
flat angles C4'-P-C4' energy: -63.737
flat angles P-C4'-P energy: -33.432
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: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1346.812524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.812524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.812524 (E_RNA)
where:
Base-Base interactions energy: -938.588
where: short stacking energy: -392.843
Base-Backbone interact. energy: -1.877
local terms energy: -406.346959
where:
bonds (distance) C4'-P energy: -73.896
bonds (distance) P-C4' energy: -69.128
flat angles C4'-P-C4' energy: -83.289
flat angles P-C4'-P energy: -60.248
tors. eta vs tors. theta energy: -119.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -1255.334344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.334344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.334344 (E_RNA)
where:
Base-Base interactions energy: -840.612
where: short stacking energy: -378.978
Base-Backbone interact. energy: -1.474
local terms energy: -413.248001
where:
bonds (distance) C4'-P energy: -70.965
bonds (distance) P-C4' energy: -78.114
flat angles C4'-P-C4' energy: -83.278
flat angles P-C4'-P energy: -56.373
tors. eta vs tors. theta energy: -124.518
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: 1
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1225.511019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.511019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.511019 (E_RNA)
where:
Base-Base interactions energy: -831.212
where: short stacking energy: -350.934
Base-Backbone interact. energy: -1.463
local terms energy: -392.836056
where:
bonds (distance) C4'-P energy: -70.793
bonds (distance) P-C4' energy: -73.825
flat angles C4'-P-C4' energy: -75.963
flat angles P-C4'-P energy: -57.175
tors. eta vs tors. theta energy: -115.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -1095.447435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.447435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.447435 (E_RNA)
where:
Base-Base interactions energy: -729.215
where: short stacking energy: -293.372
Base-Backbone interact. energy: -0.426
local terms energy: -365.806099
where:
bonds (distance) C4'-P energy: -68.469
bonds (distance) P-C4' energy: -75.540
flat angles C4'-P-C4' energy: -79.098
flat angles P-C4'-P energy: -55.890
tors. eta vs tors. theta energy: -86.808
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: 5
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -922.244812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.244812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.244812 (E_RNA)
where:
Base-Base interactions energy: -604.083
where: short stacking energy: -266.680
Base-Backbone interact. energy: 2.548
local terms energy: -320.709378
where:
bonds (distance) C4'-P energy: -70.516
bonds (distance) P-C4' energy: -67.366
flat angles C4'-P-C4' energy: -57.867
flat angles P-C4'-P energy: -53.653
tors. eta vs tors. theta energy: -71.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -841.577447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.577447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.577447 (E_RNA)
where:
Base-Base interactions energy: -547.664
where: short stacking energy: -250.002
Base-Backbone interact. energy: -0.008
local terms energy: -293.906058
where:
bonds (distance) C4'-P energy: -58.574
bonds (distance) P-C4' energy: -59.357
flat angles C4'-P-C4' energy: -73.431
flat angles P-C4'-P energy: -42.835
tors. eta vs tors. theta energy: -59.710
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: 3
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -804.532410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.532410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.532410 (E_RNA)
where:
Base-Base interactions energy: -500.320
where: short stacking energy: -241.560
Base-Backbone interact. energy: 0.277
local terms energy: -304.488948
where:
bonds (distance) C4'-P energy: -53.942
bonds (distance) P-C4' energy: -57.130
flat angles C4'-P-C4' energy: -74.192
flat angles P-C4'-P energy: -52.756
tors. eta vs tors. theta energy: -66.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -502.004818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.004818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.004818 (E_RNA)
where:
Base-Base interactions energy: -266.557
where: short stacking energy: -147.288
Base-Backbone interact. energy: -1.159
local terms energy: -234.288785
where:
bonds (distance) C4'-P energy: -65.882
bonds (distance) P-C4' energy: -52.580
flat angles C4'-P-C4' energy: -64.852
flat angles P-C4'-P energy: -37.881
tors. eta vs tors. theta energy: -13.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -499.227315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.227315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.227315 (E_RNA)
where:
Base-Base interactions energy: -279.509
where: short stacking energy: -126.309
Base-Backbone interact. energy: 1.696
local terms energy: -221.413669
where:
bonds (distance) C4'-P energy: -68.010
bonds (distance) P-C4' energy: -57.949
flat angles C4'-P-C4' energy: -57.306
flat angles P-C4'-P energy: -29.495
tors. eta vs tors. theta energy: -8.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -426.630509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.630509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.630509 (E_RNA)
where:
Base-Base interactions energy: -202.068
where: short stacking energy: -94.111
Base-Backbone interact. energy: 0.765
local terms energy: -225.327677
where:
bonds (distance) C4'-P energy: -51.465
bonds (distance) P-C4' energy: -62.773
flat angles C4'-P-C4' energy: -76.601
flat angles P-C4'-P energy: -41.383
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: 1, replica: 2
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1334.595322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.595322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.595322 (E_RNA)
where:
Base-Base interactions energy: -924.101
where: short stacking energy: -396.993
Base-Backbone interact. energy: -1.840
local terms energy: -408.654556
where:
bonds (distance) C4'-P energy: -68.602
bonds (distance) P-C4' energy: -75.422
flat angles C4'-P-C4' energy: -75.671
flat angles P-C4'-P energy: -63.694
tors. eta vs tors. theta energy: -125.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1249.435059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.435059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.435059 (E_RNA)
where:
Base-Base interactions energy: -856.676
where: short stacking energy: -375.862
Base-Backbone interact. energy: -0.622
local terms energy: -392.136517
where:
bonds (distance) C4'-P energy: -72.265
bonds (distance) P-C4' energy: -64.545
flat angles C4'-P-C4' energy: -85.296
flat angles P-C4'-P energy: -55.103
tors. eta vs tors. theta energy: -114.929
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: 1
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -1221.719737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.719737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.719737 (E_RNA)
where:
Base-Base interactions energy: -849.917
where: short stacking energy: -353.912
Base-Backbone interact. energy: -2.253
local terms energy: -369.549408
where:
bonds (distance) C4'-P energy: -59.142
bonds (distance) P-C4' energy: -76.221
flat angles C4'-P-C4' energy: -77.075
flat angles P-C4'-P energy: -45.149
tors. eta vs tors. theta energy: -111.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -1080.965178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.965178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.965178 (E_RNA)
where:
Base-Base interactions energy: -739.734
where: short stacking energy: -304.930
Base-Backbone interact. energy: -1.607
local terms energy: -339.624074
where:
bonds (distance) C4'-P energy: -60.308
bonds (distance) P-C4' energy: -65.438
flat angles C4'-P-C4' energy: -80.473
flat angles P-C4'-P energy: -51.167
tors. eta vs tors. theta energy: -82.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -869.165521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.165521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.165521 (E_RNA)
where:
Base-Base interactions energy: -553.819
where: short stacking energy: -238.030
Base-Backbone interact. energy: -1.379
local terms energy: -313.967907
where:
bonds (distance) C4'-P energy: -65.159
bonds (distance) P-C4' energy: -80.226
flat angles C4'-P-C4' energy: -66.044
flat angles P-C4'-P energy: -48.632
tors. eta vs tors. theta energy: -53.907
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: 5
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -906.890328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.890328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.890328 (E_RNA)
where:
Base-Base interactions energy: -579.024
where: short stacking energy: -264.541
Base-Backbone interact. energy: -1.611
local terms energy: -326.255099
where:
bonds (distance) C4'-P energy: -69.357
bonds (distance) P-C4' energy: -58.914
flat angles C4'-P-C4' energy: -70.288
flat angles P-C4'-P energy: -55.289
tors. eta vs tors. theta energy: -72.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -812.861001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.861001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.861001 (E_RNA)
where:
Base-Base interactions energy: -510.041
where: short stacking energy: -232.797
Base-Backbone interact. energy: -1.944
local terms energy: -300.875827
where:
bonds (distance) C4'-P energy: -78.011
bonds (distance) P-C4' energy: -63.503
flat angles C4'-P-C4' energy: -66.078
flat angles P-C4'-P energy: -33.668
tors. eta vs tors. theta energy: -59.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -510.275617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.275617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.275617 (E_RNA)
where:
Base-Base interactions energy: -279.554
where: short stacking energy: -156.062
Base-Backbone interact. energy: 0.074
local terms energy: -230.795080
where:
bonds (distance) C4'-P energy: -64.372
bonds (distance) P-C4' energy: -61.655
flat angles C4'-P-C4' energy: -45.251
flat angles P-C4'-P energy: -39.264
tors. eta vs tors. theta energy: -20.254
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: 8
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -516.299863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.299863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.299863 (E_RNA)
where:
Base-Base interactions energy: -294.187
where: short stacking energy: -158.129
Base-Backbone interact. energy: -1.231
local terms energy: -220.882395
where:
bonds (distance) C4'-P energy: -61.224
bonds (distance) P-C4' energy: -59.666
flat angles C4'-P-C4' energy: -41.220
flat angles P-C4'-P energy: -35.712
tors. eta vs tors. theta energy: -23.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -477.783384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.783384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.783384 (E_RNA)
where:
Base-Base interactions energy: -277.882
where: short stacking energy: -120.302
Base-Backbone interact. energy: -1.338
local terms energy: -198.563560
where:
bonds (distance) C4'-P energy: -59.212
bonds (distance) P-C4' energy: -55.937
flat angles C4'-P-C4' energy: -49.430
flat angles P-C4'-P energy: -36.457
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: 2
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1325.168781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.168781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.168781 (E_RNA)
where:
Base-Base interactions energy: -912.015
where: short stacking energy: -387.838
Base-Backbone interact. energy: -2.310
local terms energy: -410.843772
where:
bonds (distance) C4'-P energy: -71.954
bonds (distance) P-C4' energy: -72.223
flat angles C4'-P-C4' energy: -84.451
flat angles P-C4'-P energy: -63.168
tors. eta vs tors. theta energy: -119.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1254.411037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.411037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.411037 (E_RNA)
where:
Base-Base interactions energy: -847.665
where: short stacking energy: -390.596
Base-Backbone interact. energy: -0.628
local terms energy: -406.117634
where:
bonds (distance) C4'-P energy: -72.804
bonds (distance) P-C4' energy: -78.508
flat angles C4'-P-C4' energy: -81.206
flat angles P-C4'-P energy: -53.962
tors. eta vs tors. theta energy: -119.638
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: 1
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1217.057849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.057849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.057849 (E_RNA)
where:
Base-Base interactions energy: -804.094
where: short stacking energy: -340.496
Base-Backbone interact. energy: -2.967
local terms energy: -409.996825
where:
bonds (distance) C4'-P energy: -73.769
bonds (distance) P-C4' energy: -81.529
flat angles C4'-P-C4' energy: -83.782
flat angles P-C4'-P energy: -62.156
tors. eta vs tors. theta energy: -108.761
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: 7
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -1117.866249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.866249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.866249 (E_RNA)
where:
Base-Base interactions energy: -767.687
where: short stacking energy: -315.098
Base-Backbone interact. energy: -1.476
local terms energy: -348.703672
where:
bonds (distance) C4'-P energy: -65.467
bonds (distance) P-C4' energy: -66.654
flat angles C4'-P-C4' energy: -69.500
flat angles P-C4'-P energy: -54.215
tors. eta vs tors. theta energy: -92.869
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: 10
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -904.165209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.165209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.165209 (E_RNA)
where:
Base-Base interactions energy: -592.092
where: short stacking energy: -277.511
Base-Backbone interact. energy: 1.016
local terms energy: -313.089992
where:
bonds (distance) C4'-P energy: -50.743
bonds (distance) P-C4' energy: -65.182
flat angles C4'-P-C4' energy: -75.971
flat angles P-C4'-P energy: -50.636
tors. eta vs tors. theta energy: -70.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -888.268641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.268641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.268641 (E_RNA)
where:
Base-Base interactions energy: -569.596
where: short stacking energy: -254.783
Base-Backbone interact. energy: -0.322
local terms energy: -318.350433
where:
bonds (distance) C4'-P energy: -62.736
bonds (distance) P-C4' energy: -68.101
flat angles C4'-P-C4' energy: -74.476
flat angles P-C4'-P energy: -39.783
tors. eta vs tors. theta energy: -73.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -797.885836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.885836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.885836 (E_RNA)
where:
Base-Base interactions energy: -488.130
where: short stacking energy: -231.503
Base-Backbone interact. energy: 0.465
local terms energy: -310.220321
where:
bonds (distance) C4'-P energy: -54.516
bonds (distance) P-C4' energy: -62.677
flat angles C4'-P-C4' energy: -72.662
flat angles P-C4'-P energy: -51.478
tors. eta vs tors. theta energy: -68.887
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: 8
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -499.938881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.938881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.938881 (E_RNA)
where:
Base-Base interactions energy: -266.589
where: short stacking energy: -143.603
Base-Backbone interact. energy: -0.365
local terms energy: -232.985581
where:
bonds (distance) C4'-P energy: -66.649
bonds (distance) P-C4' energy: -69.962
flat angles C4'-P-C4' energy: -60.298
flat angles P-C4'-P energy: -20.428
tors. eta vs tors. theta energy: -15.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -476.933654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.933654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.933654 (E_RNA)
where:
Base-Base interactions energy: -261.925
where: short stacking energy: -144.543
Base-Backbone interact. energy: -1.380
local terms energy: -213.628724
where:
bonds (distance) C4'-P energy: -57.251
bonds (distance) P-C4' energy: -46.682
flat angles C4'-P-C4' energy: -65.858
flat angles P-C4'-P energy: -25.430
tors. eta vs tors. theta energy: -18.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -446.304982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.304982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.304982 (E_RNA)
where:
Base-Base interactions energy: -227.369
where: short stacking energy: -125.319
Base-Backbone interact. energy: 0.041
local terms energy: -218.977937
where:
bonds (distance) C4'-P energy: -64.161
bonds (distance) P-C4' energy: -63.377
flat angles C4'-P-C4' energy: -56.432
flat angles P-C4'-P energy: -24.792
tors. eta vs tors. theta energy: -10.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1321.011362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.011362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.011362 (E_RNA)
where:
Base-Base interactions energy: -903.003
where: short stacking energy: -393.429
Base-Backbone interact. energy: -0.882
local terms energy: -417.126724
where:
bonds (distance) C4'-P energy: -68.305
bonds (distance) P-C4' energy: -72.617
flat angles C4'-P-C4' energy: -87.884
flat angles P-C4'-P energy: -65.809
tors. eta vs tors. theta energy: -122.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1260.336651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.336651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.336651 (E_RNA)
where:
Base-Base interactions energy: -858.921
where: short stacking energy: -379.990
Base-Backbone interact. energy: -1.185
local terms energy: -400.231216
where:
bonds (distance) C4'-P energy: -63.093
bonds (distance) P-C4' energy: -82.519
flat angles C4'-P-C4' energy: -76.029
flat angles P-C4'-P energy: -57.992
tors. eta vs tors. theta energy: -120.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1199.606701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.606701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.606701 (E_RNA)
where:
Base-Base interactions energy: -819.075
where: short stacking energy: -340.943
Base-Backbone interact. energy: -2.731
local terms energy: -377.800687
where:
bonds (distance) C4'-P energy: -62.130
bonds (distance) P-C4' energy: -60.899
flat angles C4'-P-C4' energy: -82.924
flat angles P-C4'-P energy: -63.489
tors. eta vs tors. theta energy: -108.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -1104.607697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.607697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.607697 (E_RNA)
where:
Base-Base interactions energy: -753.110
where: short stacking energy: -302.969
Base-Backbone interact. energy: -0.547
local terms energy: -350.950819
where:
bonds (distance) C4'-P energy: -62.667
bonds (distance) P-C4' energy: -74.092
flat angles C4'-P-C4' energy: -88.640
flat angles P-C4'-P energy: -44.816
tors. eta vs tors. theta energy: -80.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -946.633789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.633789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.633789 (E_RNA)
where:
Base-Base interactions energy: -610.553
where: short stacking energy: -279.654
Base-Backbone interact. energy: 0.583
local terms energy: -336.663544
where:
bonds (distance) C4'-P energy: -73.571
bonds (distance) P-C4' energy: -62.798
flat angles C4'-P-C4' energy: -73.118
flat angles P-C4'-P energy: -50.581
tors. eta vs tors. theta energy: -76.596
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: 10
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -881.538272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.538272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.538272 (E_RNA)
where:
Base-Base interactions energy: -570.027
where: short stacking energy: -235.902
Base-Backbone interact. energy: -0.547
local terms energy: -310.964021
where:
bonds (distance) C4'-P energy: -68.606
bonds (distance) P-C4' energy: -64.548
flat angles C4'-P-C4' energy: -73.494
flat angles P-C4'-P energy: -43.961
tors. eta vs tors. theta energy: -60.355
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: 3
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -827.389812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.389812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.389812 (E_RNA)
where:
Base-Base interactions energy: -533.271
where: short stacking energy: -247.984
Base-Backbone interact. energy: 1.236
local terms energy: -295.354644
where:
bonds (distance) C4'-P energy: -56.755
bonds (distance) P-C4' energy: -63.777
flat angles C4'-P-C4' energy: -71.262
flat angles P-C4'-P energy: -45.377
tors. eta vs tors. theta energy: -58.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -503.505679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.505679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.505679 (E_RNA)
where:
Base-Base interactions energy: -252.877
where: short stacking energy: -135.155
Base-Backbone interact. energy: -2.523
local terms energy: -248.105629
where:
bonds (distance) C4'-P energy: -78.107
bonds (distance) P-C4' energy: -53.610
flat angles C4'-P-C4' energy: -68.085
flat angles P-C4'-P energy: -35.809
tors. eta vs tors. theta energy: -12.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -520.765692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.765692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.765692 (E_RNA)
where:
Base-Base interactions energy: -270.216
where: short stacking energy: -141.818
Base-Backbone interact. energy: 5.548
local terms energy: -256.098072
where:
bonds (distance) C4'-P energy: -54.510
bonds (distance) P-C4' energy: -73.083
flat angles C4'-P-C4' energy: -67.120
flat angles P-C4'-P energy: -38.159
tors. eta vs tors. theta energy: -23.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -472.653306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.653306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.653306 (E_RNA)
where:
Base-Base interactions energy: -259.621
where: short stacking energy: -133.115
Base-Backbone interact. energy: 4.316
local terms energy: -217.348221
where:
bonds (distance) C4'-P energy: -51.515
bonds (distance) P-C4' energy: -66.341
flat angles C4'-P-C4' energy: -51.888
flat angles P-C4'-P energy: -33.776
tors. eta vs tors. theta energy: -13.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1327.608707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.608707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.608707 (E_RNA)
where:
Base-Base interactions energy: -927.977
where: short stacking energy: -377.188
Base-Backbone interact. energy: -0.857
local terms energy: -398.774775
where:
bonds (distance) C4'-P energy: -73.989
bonds (distance) P-C4' energy: -69.439
flat angles C4'-P-C4' energy: -80.638
flat angles P-C4'-P energy: -58.946
tors. eta vs tors. theta energy: -115.761
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: 2, replica: 9
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1262.230836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.230836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.230836 (E_RNA)
where:
Base-Base interactions energy: -858.471
where: short stacking energy: -375.176
Base-Backbone interact. energy: -1.311
local terms energy: -402.449457
where:
bonds (distance) C4'-P energy: -62.490
bonds (distance) P-C4' energy: -83.390
flat angles C4'-P-C4' energy: -81.421
flat angles P-C4'-P energy: -54.907
tors. eta vs tors. theta energy: -120.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -1216.200568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.200568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.200568 (E_RNA)
where:
Base-Base interactions energy: -843.312
where: short stacking energy: -351.749
Base-Backbone interact. energy: 0.154
local terms energy: -373.042985
where:
bonds (distance) C4'-P energy: -68.789
bonds (distance) P-C4' energy: -70.553
flat angles C4'-P-C4' energy: -69.189
flat angles P-C4'-P energy: -51.893
tors. eta vs tors. theta energy: -112.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -1108.812992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.812992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.812992 (E_RNA)
where:
Base-Base interactions energy: -766.537
where: short stacking energy: -315.305
Base-Backbone interact. energy: -1.308
local terms energy: -340.967682
where:
bonds (distance) C4'-P energy: -67.823
bonds (distance) P-C4' energy: -56.999
flat angles C4'-P-C4' energy: -79.221
flat angles P-C4'-P energy: -46.812
tors. eta vs tors. theta energy: -90.112
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: 465
Temperature: 1.100000
Total energy: -977.662067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.662067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.662067 (E_RNA)
where:
Base-Base interactions energy: -630.424
where: short stacking energy: -271.181
Base-Backbone interact. energy: -2.358
local terms energy: -344.879493
where:
bonds (distance) C4'-P energy: -70.761
bonds (distance) P-C4' energy: -75.504
flat angles C4'-P-C4' energy: -72.841
flat angles P-C4'-P energy: -45.190
tors. eta vs tors. theta energy: -80.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -843.294321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.294321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.294321 (E_RNA)
where:
Base-Base interactions energy: -540.529
where: short stacking energy: -248.160
Base-Backbone interact. energy: -1.560
local terms energy: -301.204982
where:
bonds (distance) C4'-P energy: -60.065
bonds (distance) P-C4' energy: -61.941
flat angles C4'-P-C4' energy: -68.247
flat angles P-C4'-P energy: -38.364
tors. eta vs tors. theta energy: -72.587
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: 7, replica: 3
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -819.048003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.048003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.048003 (E_RNA)
where:
Base-Base interactions energy: -529.305
where: short stacking energy: -246.555
Base-Backbone interact. energy: -1.316
local terms energy: -288.427801
where:
bonds (distance) C4'-P energy: -61.665
bonds (distance) P-C4' energy: -63.688
flat angles C4'-P-C4' energy: -67.231
flat angles P-C4'-P energy: -39.572
tors. eta vs tors. theta energy: -56.271
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: 6
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -560.919381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.919381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.919381 (E_RNA)
where:
Base-Base interactions energy: -312.043
where: short stacking energy: -135.807
Base-Backbone interact. energy: -0.816
local terms energy: -248.060229
where:
bonds (distance) C4'-P energy: -63.636
bonds (distance) P-C4' energy: -63.075
flat angles C4'-P-C4' energy: -67.433
flat angles P-C4'-P energy: -35.605
tors. eta vs tors. theta energy: -18.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -465.678856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.678856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.678856 (E_RNA)
where:
Base-Base interactions energy: -234.462
where: short stacking energy: -124.622
Base-Backbone interact. energy: -1.362
local terms energy: -229.854959
where:
bonds (distance) C4'-P energy: -64.874
bonds (distance) P-C4' energy: -64.000
flat angles C4'-P-C4' energy: -59.289
flat angles P-C4'-P energy: -36.013
tors. eta vs tors. theta energy: -5.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -438.370664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.370664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.370664 (E_RNA)
where:
Base-Base interactions energy: -227.540
where: short stacking energy: -112.463
Base-Backbone interact. energy: -0.677
local terms energy: -210.153422
where:
bonds (distance) C4'-P energy: -59.578
bonds (distance) P-C4' energy: -61.706
flat angles C4'-P-C4' energy: -56.061
flat angles P-C4'-P energy: -34.806
tors. eta vs tors. theta energy: 1.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1302.833743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.833743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.833743 (E_RNA)
where:
Base-Base interactions energy: -890.366
where: short stacking energy: -371.850
Base-Backbone interact. energy: -1.317
local terms energy: -411.150288
where:
bonds (distance) C4'-P energy: -71.331
bonds (distance) P-C4' energy: -81.971
flat angles C4'-P-C4' energy: -84.176
flat angles P-C4'-P energy: -58.373
tors. eta vs tors. theta energy: -115.299
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: 9
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1264.816046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.816046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.816046 (E_RNA)
where:
Base-Base interactions energy: -857.310
where: short stacking energy: -382.769
Base-Backbone interact. energy: 0.470
local terms energy: -407.976074
where:
bonds (distance) C4'-P energy: -67.290
bonds (distance) P-C4' energy: -79.203
flat angles C4'-P-C4' energy: -88.454
flat angles P-C4'-P energy: -54.092
tors. eta vs tors. theta energy: -118.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1216.270537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.270537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.270537 (E_RNA)
where:
Base-Base interactions energy: -835.618
where: short stacking energy: -352.263
Base-Backbone interact. energy: -1.155
local terms energy: -379.497110
where:
bonds (distance) C4'-P energy: -58.982
bonds (distance) P-C4' energy: -67.000
flat angles C4'-P-C4' energy: -77.832
flat angles P-C4'-P energy: -56.146
tors. eta vs tors. theta energy: -119.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1088.432840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.432840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.432840 (E_RNA)
where:
Base-Base interactions energy: -755.042
where: short stacking energy: -310.984
Base-Backbone interact. energy: 0.023
local terms energy: -333.414363
where:
bonds (distance) C4'-P energy: -60.639
bonds (distance) P-C4' energy: -66.232
flat angles C4'-P-C4' energy: -76.170
flat angles P-C4'-P energy: -49.876
tors. eta vs tors. theta energy: -80.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -966.474784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.474784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.474784 (E_RNA)
where:
Base-Base interactions energy: -624.991
where: short stacking energy: -297.790
Base-Backbone interact. energy: 0.446
local terms energy: -341.928942
where:
bonds (distance) C4'-P energy: -70.224
bonds (distance) P-C4' energy: -69.633
flat angles C4'-P-C4' energy: -64.409
flat angles P-C4'-P energy: -47.093
tors. eta vs tors. theta energy: -90.570
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: 10
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -850.152057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.152057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.152057 (E_RNA)
where:
Base-Base interactions energy: -545.739
where: short stacking energy: -277.273
Base-Backbone interact. energy: 2.179
local terms energy: -306.592214
where:
bonds (distance) C4'-P energy: -57.784
bonds (distance) P-C4' energy: -67.241
flat angles C4'-P-C4' energy: -65.965
flat angles P-C4'-P energy: -47.048
tors. eta vs tors. theta energy: -68.554
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: 3
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -780.671996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.671996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.671996 (E_RNA)
where:
Base-Base interactions energy: -507.154
where: short stacking energy: -232.251
Base-Backbone interact. energy: -1.754
local terms energy: -271.763692
where:
bonds (distance) C4'-P energy: -62.550
bonds (distance) P-C4' energy: -63.855
flat angles C4'-P-C4' energy: -66.637
flat angles P-C4'-P energy: -28.085
tors. eta vs tors. theta energy: -50.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -562.740968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.740968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.740968 (E_RNA)
where:
Base-Base interactions energy: -315.363
where: short stacking energy: -174.211
Base-Backbone interact. energy: 2.596
local terms energy: -249.974500
where:
bonds (distance) C4'-P energy: -56.139
bonds (distance) P-C4' energy: -76.199
flat angles C4'-P-C4' energy: -48.374
flat angles P-C4'-P energy: -41.370
tors. eta vs tors. theta energy: -27.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -479.096496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.096496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.096496 (E_RNA)
where:
Base-Base interactions energy: -262.129
where: short stacking energy: -142.542
Base-Backbone interact. energy: -1.645
local terms energy: -215.322755
where:
bonds (distance) C4'-P energy: -47.199
bonds (distance) P-C4' energy: -59.915
flat angles C4'-P-C4' energy: -52.655
flat angles P-C4'-P energy: -37.634
tors. eta vs tors. theta energy: -17.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -453.936730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.936730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.936730 (E_RNA)
where:
Base-Base interactions energy: -233.101
where: short stacking energy: -122.617
Base-Backbone interact. energy: -1.044
local terms energy: -219.791948
where:
bonds (distance) C4'-P energy: -59.901
bonds (distance) P-C4' energy: -63.431
flat angles C4'-P-C4' energy: -50.563
flat angles P-C4'-P energy: -31.972
tors. eta vs tors. theta energy: -13.925
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: 467
Temperature: 0.900000
Total energy: -1296.631980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.631980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.631980 (E_RNA)
where:
Base-Base interactions energy: -886.356
where: short stacking energy: -376.482
Base-Backbone interact. energy: 0.102
local terms energy: -410.377957
where:
bonds (distance) C4'-P energy: -73.818
bonds (distance) P-C4' energy: -78.846
flat angles C4'-P-C4' energy: -85.278
flat angles P-C4'-P energy: -58.957
tors. eta vs tors. theta energy: -113.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1269.910561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.910561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.910561 (E_RNA)
where:
Base-Base interactions energy: -864.937
where: short stacking energy: -402.247
Base-Backbone interact. energy: -1.806
local terms energy: -403.167446
where:
bonds (distance) C4'-P energy: -69.661
bonds (distance) P-C4' energy: -72.401
flat angles C4'-P-C4' energy: -83.651
flat angles P-C4'-P energy: -53.089
tors. eta vs tors. theta energy: -124.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -1223.755761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.755761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.755761 (E_RNA)
where:
Base-Base interactions energy: -858.215
where: short stacking energy: -353.862
Base-Backbone interact. energy: -1.925
local terms energy: -363.615495
where:
bonds (distance) C4'-P energy: -61.491
bonds (distance) P-C4' energy: -63.875
flat angles C4'-P-C4' energy: -73.129
flat angles P-C4'-P energy: -56.312
tors. eta vs tors. theta energy: -108.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -1123.955291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.955291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.955291 (E_RNA)
where:
Base-Base interactions energy: -774.199
where: short stacking energy: -323.216
Base-Backbone interact. energy: -1.373
local terms energy: -348.383326
where:
bonds (distance) C4'-P energy: -71.551
bonds (distance) P-C4' energy: -66.302
flat angles C4'-P-C4' energy: -76.371
flat angles P-C4'-P energy: -43.118
tors. eta vs tors. theta energy: -91.041
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: 467
Temperature: 1.100000
Total energy: -973.857315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.857315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.857315 (E_RNA)
where:
Base-Base interactions energy: -638.123
where: short stacking energy: -279.634
Base-Backbone interact. energy: -1.126
local terms energy: -334.608332
where:
bonds (distance) C4'-P energy: -73.524
bonds (distance) P-C4' energy: -71.464
flat angles C4'-P-C4' energy: -67.265
flat angles P-C4'-P energy: -39.755
tors. eta vs tors. theta energy: -82.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -855.481887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.481887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.481887 (E_RNA)
where:
Base-Base interactions energy: -547.367
where: short stacking energy: -258.002
Base-Backbone interact. energy: 1.354
local terms energy: -309.468619
where:
bonds (distance) C4'-P energy: -56.148
bonds (distance) P-C4' energy: -64.103
flat angles C4'-P-C4' energy: -74.673
flat angles P-C4'-P energy: -46.847
tors. eta vs tors. theta energy: -67.697
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: 3
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -756.683755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.683755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.683755 (E_RNA)
where:
Base-Base interactions energy: -482.085
where: short stacking energy: -223.382
Base-Backbone interact. energy: 1.613
local terms energy: -276.211328
where:
bonds (distance) C4'-P energy: -62.479
bonds (distance) P-C4' energy: -61.275
flat angles C4'-P-C4' energy: -62.162
flat angles P-C4'-P energy: -37.665
tors. eta vs tors. theta energy: -52.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -518.165538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.165538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.165538 (E_RNA)
where:
Base-Base interactions energy: -291.181
where: short stacking energy: -159.919
Base-Backbone interact. energy: -2.094
local terms energy: -224.890923
where:
bonds (distance) C4'-P energy: -54.267
bonds (distance) P-C4' energy: -67.017
flat angles C4'-P-C4' energy: -52.665
flat angles P-C4'-P energy: -29.371
tors. eta vs tors. theta energy: -21.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -540.421111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.421111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.421111 (E_RNA)
where:
Base-Base interactions energy: -337.510
where: short stacking energy: -169.481
Base-Backbone interact. energy: -0.217
local terms energy: -202.693767
where:
bonds (distance) C4'-P energy: -56.478
bonds (distance) P-C4' energy: -57.461
flat angles C4'-P-C4' energy: -45.595
flat angles P-C4'-P energy: -27.236
tors. eta vs tors. theta energy: -15.925
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: 10, replica: 4
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -453.417083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.417083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.417083 (E_RNA)
where:
Base-Base interactions energy: -221.313
where: short stacking energy: -111.680
Base-Backbone interact. energy: 1.900
local terms energy: -234.003336
where:
bonds (distance) C4'-P energy: -64.981
bonds (distance) P-C4' energy: -69.902
flat angles C4'-P-C4' energy: -60.511
flat angles P-C4'-P energy: -37.747
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: 9
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1300.609008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.609008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.609008 (E_RNA)
where:
Base-Base interactions energy: -877.245
where: short stacking energy: -395.177
Base-Backbone interact. energy: -0.466
local terms energy: -422.898443
where:
bonds (distance) C4'-P energy: -84.062
bonds (distance) P-C4' energy: -68.872
flat angles C4'-P-C4' energy: -85.728
flat angles P-C4'-P energy: -62.567
tors. eta vs tors. theta energy: -121.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1303.679088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.679088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.679088 (E_RNA)
where:
Base-Base interactions energy: -896.231
where: short stacking energy: -388.113
Base-Backbone interact. energy: -0.581
local terms energy: -406.867034
where:
bonds (distance) C4'-P energy: -71.145
bonds (distance) P-C4' energy: -80.813
flat angles C4'-P-C4' energy: -88.128
flat angles P-C4'-P energy: -48.870
tors. eta vs tors. theta energy: -117.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -1230.605503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.605503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.605503 (E_RNA)
where:
Base-Base interactions energy: -837.577
where: short stacking energy: -350.000
Base-Backbone interact. energy: -2.633
local terms energy: -390.396122
where:
bonds (distance) C4'-P energy: -59.847
bonds (distance) P-C4' energy: -73.203
flat angles C4'-P-C4' energy: -88.398
flat angles P-C4'-P energy: -56.593
tors. eta vs tors. theta energy: -112.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1116.074229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.074229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.074229 (E_RNA)
where:
Base-Base interactions energy: -747.658
where: short stacking energy: -320.223
Base-Backbone interact. energy: -0.800
local terms energy: -367.616692
where:
bonds (distance) C4'-P energy: -70.205
bonds (distance) P-C4' energy: -67.331
flat angles C4'-P-C4' energy: -82.855
flat angles P-C4'-P energy: -56.008
tors. eta vs tors. theta energy: -91.218
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: 5
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -970.418559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.418559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.418559 (E_RNA)
where:
Base-Base interactions energy: -654.254
where: short stacking energy: -271.724
Base-Backbone interact. energy: 0.856
local terms energy: -317.021294
where:
bonds (distance) C4'-P energy: -57.372
bonds (distance) P-C4' energy: -71.776
flat angles C4'-P-C4' energy: -80.163
flat angles P-C4'-P energy: -35.017
tors. eta vs tors. theta energy: -72.693
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: 10
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -859.122277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.122277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.122277 (E_RNA)
where:
Base-Base interactions energy: -560.837
where: short stacking energy: -237.310
Base-Backbone interact. energy: -0.498
local terms energy: -297.786964
where:
bonds (distance) C4'-P energy: -70.922
bonds (distance) P-C4' energy: -71.383
flat angles C4'-P-C4' energy: -72.562
flat angles P-C4'-P energy: -41.948
tors. eta vs tors. theta energy: -40.973
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: 3
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -800.790810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.790810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.790810 (E_RNA)
where:
Base-Base interactions energy: -501.306
where: short stacking energy: -236.087
Base-Backbone interact. energy: 3.144
local terms energy: -302.628575
where:
bonds (distance) C4'-P energy: -67.868
bonds (distance) P-C4' energy: -61.062
flat angles C4'-P-C4' energy: -65.086
flat angles P-C4'-P energy: -38.639
tors. eta vs tors. theta energy: -69.975
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: 8
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -492.964915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.964915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.964915 (E_RNA)
where:
Base-Base interactions energy: -236.166
where: short stacking energy: -129.555
Base-Backbone interact. energy: 1.324
local terms energy: -258.122884
where:
bonds (distance) C4'-P energy: -69.715
bonds (distance) P-C4' energy: -70.786
flat angles C4'-P-C4' energy: -61.646
flat angles P-C4'-P energy: -39.505
tors. eta vs tors. theta energy: -16.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -562.407902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.407902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.407902 (E_RNA)
where:
Base-Base interactions energy: -320.902
where: short stacking energy: -149.130
Base-Backbone interact. energy: -1.936
local terms energy: -239.569398
where:
bonds (distance) C4'-P energy: -63.130
bonds (distance) P-C4' energy: -62.789
flat angles C4'-P-C4' energy: -63.162
flat angles P-C4'-P energy: -28.028
tors. eta vs tors. theta energy: -22.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -448.668024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.668024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.668024 (E_RNA)
where:
Base-Base interactions energy: -238.665
where: short stacking energy: -131.438
Base-Backbone interact. energy: 1.902
local terms energy: -211.905091
where:
bonds (distance) C4'-P energy: -63.956
bonds (distance) P-C4' energy: -54.473
flat angles C4'-P-C4' energy: -46.062
flat angles P-C4'-P energy: -39.619
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: 1, replica: 9
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1290.695872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.695872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.695872 (E_RNA)
where:
Base-Base interactions energy: -867.434
where: short stacking energy: -386.874
Base-Backbone interact. energy: -0.409
local terms energy: -422.853506
where:
bonds (distance) C4'-P energy: -73.141
bonds (distance) P-C4' energy: -78.006
flat angles C4'-P-C4' energy: -89.112
flat angles P-C4'-P energy: -58.726
tors. eta vs tors. theta energy: -123.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -1283.540894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.540894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.540894 (E_RNA)
where:
Base-Base interactions energy: -894.446
where: short stacking energy: -380.295
Base-Backbone interact. energy: 0.177
local terms energy: -389.272148
where:
bonds (distance) C4'-P energy: -73.559
bonds (distance) P-C4' energy: -66.218
flat angles C4'-P-C4' energy: -73.814
flat angles P-C4'-P energy: -59.378
tors. eta vs tors. theta energy: -116.303
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: 1
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -1228.903642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.903642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.903642 (E_RNA)
where:
Base-Base interactions energy: -841.477
where: short stacking energy: -359.487
Base-Backbone interact. energy: -2.601
local terms energy: -384.825915
where:
bonds (distance) C4'-P energy: -79.468
bonds (distance) P-C4' energy: -75.032
flat angles C4'-P-C4' energy: -78.628
flat angles P-C4'-P energy: -45.595
tors. eta vs tors. theta energy: -106.103
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: 4, replica: 7
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1138.591166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.591166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.591166 (E_RNA)
where:
Base-Base interactions energy: -788.087
where: short stacking energy: -325.174
Base-Backbone interact. energy: 0.690
local terms energy: -351.193353
where:
bonds (distance) C4'-P energy: -72.087
bonds (distance) P-C4' energy: -66.160
flat angles C4'-P-C4' energy: -70.576
flat angles P-C4'-P energy: -53.932
tors. eta vs tors. theta energy: -88.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -954.136437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.136437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.136437 (E_RNA)
where:
Base-Base interactions energy: -634.314
where: short stacking energy: -282.864
Base-Backbone interact. energy: 1.176
local terms energy: -320.998704
where:
bonds (distance) C4'-P energy: -63.390
bonds (distance) P-C4' energy: -68.694
flat angles C4'-P-C4' energy: -66.032
flat angles P-C4'-P energy: -48.626
tors. eta vs tors. theta energy: -74.257
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: 10
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -915.910979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.910979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.910979 (E_RNA)
where:
Base-Base interactions energy: -582.077
where: short stacking energy: -278.116
Base-Backbone interact. energy: -0.500
local terms energy: -333.333586
where:
bonds (distance) C4'-P energy: -60.011
bonds (distance) P-C4' energy: -71.632
flat angles C4'-P-C4' energy: -82.826
flat angles P-C4'-P energy: -48.045
tors. eta vs tors. theta energy: -70.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -754.312618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.312618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.312618 (E_RNA)
where:
Base-Base interactions energy: -479.871
where: short stacking energy: -195.539
Base-Backbone interact. energy: -2.208
local terms energy: -272.232782
where:
bonds (distance) C4'-P energy: -63.075
bonds (distance) P-C4' energy: -69.914
flat angles C4'-P-C4' energy: -68.851
flat angles P-C4'-P energy: -36.630
tors. eta vs tors. theta energy: -33.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -656.568864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.568864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.568864 (E_RNA)
where:
Base-Base interactions energy: -385.085
where: short stacking energy: -181.105
Base-Backbone interact. energy: 2.904
local terms energy: -274.387443
where:
bonds (distance) C4'-P energy: -55.905
bonds (distance) P-C4' energy: -70.327
flat angles C4'-P-C4' energy: -62.551
flat angles P-C4'-P energy: -43.998
tors. eta vs tors. theta energy: -41.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -466.724483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.724483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.724483 (E_RNA)
where:
Base-Base interactions energy: -235.336
where: short stacking energy: -126.437
Base-Backbone interact. energy: 1.906
local terms energy: -233.294049
where:
bonds (distance) C4'-P energy: -43.903
bonds (distance) P-C4' energy: -78.664
flat angles C4'-P-C4' energy: -55.898
flat angles P-C4'-P energy: -41.640
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: 10, replica: 4
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -447.291213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.291213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.291213 (E_RNA)
where:
Base-Base interactions energy: -225.268
where: short stacking energy: -105.812
Base-Backbone interact. energy: 0.638
local terms energy: -222.661537
where:
bonds (distance) C4'-P energy: -59.216
bonds (distance) P-C4' energy: -63.600
flat angles C4'-P-C4' energy: -54.943
flat angles P-C4'-P energy: -42.805
tors. eta vs tors. theta energy: -2.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1303.100622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.100622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.100622 (E_RNA)
where:
Base-Base interactions energy: -894.224
where: short stacking energy: -392.303
Base-Backbone interact. energy: -0.848
local terms energy: -408.028486
where:
bonds (distance) C4'-P energy: -74.434
bonds (distance) P-C4' energy: -65.990
flat angles C4'-P-C4' energy: -91.931
flat angles P-C4'-P energy: -60.173
tors. eta vs tors. theta energy: -115.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1279.247414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.247414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.247414 (E_RNA)
where:
Base-Base interactions energy: -864.230
where: short stacking energy: -364.199
Base-Backbone interact. energy: 0.729
local terms energy: -415.746803
where:
bonds (distance) C4'-P energy: -83.287
bonds (distance) P-C4' energy: -73.066
flat angles C4'-P-C4' energy: -86.055
flat angles P-C4'-P energy: -53.563
tors. eta vs tors. theta energy: -119.776
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: 1
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -1224.655294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.655294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.655294 (E_RNA)
where:
Base-Base interactions energy: -829.757
where: short stacking energy: -348.043
Base-Backbone interact. energy: -0.900
local terms energy: -393.999005
where:
bonds (distance) C4'-P energy: -68.599
bonds (distance) P-C4' energy: -81.364
flat angles C4'-P-C4' energy: -77.044
flat angles P-C4'-P energy: -58.618
tors. eta vs tors. theta energy: -108.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -1126.920805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.920805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.920805 (E_RNA)
where:
Base-Base interactions energy: -764.223
where: short stacking energy: -321.626
Base-Backbone interact. energy: -0.875
local terms energy: -361.822213
where:
bonds (distance) C4'-P energy: -71.779
bonds (distance) P-C4' energy: -61.866
flat angles C4'-P-C4' energy: -84.247
flat angles P-C4'-P energy: -46.424
tors. eta vs tors. theta energy: -97.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -973.419248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.419248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.419248 (E_RNA)
where:
Base-Base interactions energy: -630.764
where: short stacking energy: -281.082
Base-Backbone interact. energy: -0.671
local terms energy: -341.984121
where:
bonds (distance) C4'-P energy: -82.997
bonds (distance) P-C4' energy: -62.983
flat angles C4'-P-C4' energy: -74.759
flat angles P-C4'-P energy: -47.340
tors. eta vs tors. theta energy: -73.905
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: 10
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -822.735587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.735587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.735587 (E_RNA)
where:
Base-Base interactions energy: -526.660
where: short stacking energy: -236.208
Base-Backbone interact. energy: -2.513
local terms energy: -293.562540
where:
bonds (distance) C4'-P energy: -56.747
bonds (distance) P-C4' energy: -77.428
flat angles C4'-P-C4' energy: -67.640
flat angles P-C4'-P energy: -30.461
tors. eta vs tors. theta energy: -61.287
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: 3
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -804.232320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.232320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.232320 (E_RNA)
where:
Base-Base interactions energy: -528.195
where: short stacking energy: -228.866
Base-Backbone interact. energy: -0.004
local terms energy: -276.033249
where:
bonds (distance) C4'-P energy: -62.671
bonds (distance) P-C4' energy: -40.597
flat angles C4'-P-C4' energy: -72.451
flat angles P-C4'-P energy: -51.920
tors. eta vs tors. theta energy: -48.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -608.825325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.825325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.825325 (E_RNA)
where:
Base-Base interactions energy: -362.604
where: short stacking energy: -173.890
Base-Backbone interact. energy: 1.204
local terms energy: -247.425657
where:
bonds (distance) C4'-P energy: -51.700
bonds (distance) P-C4' energy: -67.743
flat angles C4'-P-C4' energy: -69.636
flat angles P-C4'-P energy: -33.746
tors. eta vs tors. theta energy: -24.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -465.011824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.011824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.011824 (E_RNA)
where:
Base-Base interactions energy: -244.361
where: short stacking energy: -124.055
Base-Backbone interact. energy: 1.527
local terms energy: -222.177916
where:
bonds (distance) C4'-P energy: -51.161
bonds (distance) P-C4' energy: -75.369
flat angles C4'-P-C4' energy: -66.901
flat angles P-C4'-P energy: -24.257
tors. eta vs tors. theta energy: -4.489
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: 10, replica: 8
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -466.483018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.483018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.483018 (E_RNA)
where:
Base-Base interactions energy: -244.299
where: short stacking energy: -105.760
Base-Backbone interact. energy: 0.951
local terms energy: -223.135118
where:
bonds (distance) C4'-P energy: -63.776
bonds (distance) P-C4' energy: -56.962
flat angles C4'-P-C4' energy: -56.385
flat angles P-C4'-P energy: -36.614
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: 9
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1270.432222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.432222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.432222 (E_RNA)
where:
Base-Base interactions energy: -857.264
where: short stacking energy: -381.070
Base-Backbone interact. energy: -0.025
local terms energy: -413.143245
where:
bonds (distance) C4'-P energy: -70.971
bonds (distance) P-C4' energy: -78.608
flat angles C4'-P-C4' energy: -82.992
flat angles P-C4'-P energy: -62.983
tors. eta vs tors. theta energy: -117.589
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: 2
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -1298.393632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.393632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.393632 (E_RNA)
where:
Base-Base interactions energy: -891.159
where: short stacking energy: -366.549
Base-Backbone interact. energy: -1.820
local terms energy: -405.414532
where:
bonds (distance) C4'-P energy: -74.879
bonds (distance) P-C4' energy: -69.252
flat angles C4'-P-C4' energy: -89.534
flat angles P-C4'-P energy: -54.239
tors. eta vs tors. theta energy: -117.511
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: 1
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -1228.916818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.916818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.916818 (E_RNA)
where:
Base-Base interactions energy: -837.924
where: short stacking energy: -365.113
Base-Backbone interact. energy: -0.981
local terms energy: -390.011731
where:
bonds (distance) C4'-P energy: -78.036
bonds (distance) P-C4' energy: -67.341
flat angles C4'-P-C4' energy: -79.056
flat angles P-C4'-P energy: -51.157
tors. eta vs tors. theta energy: -114.423
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: 4, replica: 7
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -1100.505789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.505789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.505789 (E_RNA)
where:
Base-Base interactions energy: -754.293
where: short stacking energy: -290.748
Base-Backbone interact. energy: -1.887
local terms energy: -344.326095
where:
bonds (distance) C4'-P energy: -67.783
bonds (distance) P-C4' energy: -71.327
flat angles C4'-P-C4' energy: -72.883
flat angles P-C4'-P energy: -50.655
tors. eta vs tors. theta energy: -81.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -978.036085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.036085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.036085 (E_RNA)
where:
Base-Base interactions energy: -644.784
where: short stacking energy: -270.296
Base-Backbone interact. energy: -1.749
local terms energy: -331.502458
where:
bonds (distance) C4'-P energy: -61.452
bonds (distance) P-C4' energy: -74.717
flat angles C4'-P-C4' energy: -71.555
flat angles P-C4'-P energy: -46.710
tors. eta vs tors. theta energy: -77.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -837.559999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.559999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.559999 (E_RNA)
where:
Base-Base interactions energy: -521.754
where: short stacking energy: -245.865
Base-Backbone interact. energy: -1.247
local terms energy: -314.559704
where:
bonds (distance) C4'-P energy: -73.308
bonds (distance) P-C4' energy: -66.392
flat angles C4'-P-C4' energy: -71.947
flat angles P-C4'-P energy: -50.151
tors. eta vs tors. theta energy: -52.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -807.514552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.514552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.514552 (E_RNA)
where:
Base-Base interactions energy: -497.478
where: short stacking energy: -216.268
Base-Backbone interact. energy: -0.369
local terms energy: -309.667617
where:
bonds (distance) C4'-P energy: -74.830
bonds (distance) P-C4' energy: -61.856
flat angles C4'-P-C4' energy: -70.843
flat angles P-C4'-P energy: -49.815
tors. eta vs tors. theta energy: -52.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -596.577327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.577327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.577327 (E_RNA)
where:
Base-Base interactions energy: -351.614
where: short stacking energy: -169.315
Base-Backbone interact. energy: -1.437
local terms energy: -243.526659
where:
bonds (distance) C4'-P energy: -59.715
bonds (distance) P-C4' energy: -57.931
flat angles C4'-P-C4' energy: -59.643
flat angles P-C4'-P energy: -34.537
tors. eta vs tors. theta energy: -31.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -494.147743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.147743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.147743 (E_RNA)
where:
Base-Base interactions energy: -270.195
where: short stacking energy: -126.930
Base-Backbone interact. energy: 0.979
local terms energy: -224.930972
where:
bonds (distance) C4'-P energy: -67.115
bonds (distance) P-C4' energy: -64.731
flat angles C4'-P-C4' energy: -52.476
flat angles P-C4'-P energy: -18.961
tors. eta vs tors. theta energy: -21.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -453.124650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.124650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.124650 (E_RNA)
where:
Base-Base interactions energy: -244.905
where: short stacking energy: -131.574
Base-Backbone interact. energy: 4.070
local terms energy: -212.290442
where:
bonds (distance) C4'-P energy: -53.259
bonds (distance) P-C4' energy: -63.436
flat angles C4'-P-C4' energy: -37.566
flat angles P-C4'-P energy: -41.112
tors. eta vs tors. theta energy: -16.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1333.848442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.848442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.848442 (E_RNA)
where:
Base-Base interactions energy: -915.944
where: short stacking energy: -413.064
Base-Backbone interact. energy: -0.316
local terms energy: -417.588444
where:
bonds (distance) C4'-P energy: -72.906
bonds (distance) P-C4' energy: -77.193
flat angles C4'-P-C4' energy: -82.647
flat angles P-C4'-P energy: -56.600
tors. eta vs tors. theta energy: -128.243
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: 2
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -1287.459011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.459011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.459011 (E_RNA)
where:
Base-Base interactions energy: -899.429
where: short stacking energy: -386.336
Base-Backbone interact. energy: -1.330
local terms energy: -386.700454
where:
bonds (distance) C4'-P energy: -66.268
bonds (distance) P-C4' energy: -71.088
flat angles C4'-P-C4' energy: -78.980
flat angles P-C4'-P energy: -49.597
tors. eta vs tors. theta energy: -120.768
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: 3, replica: 1
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -1221.497574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.497574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.497574 (E_RNA)
where:
Base-Base interactions energy: -836.569
where: short stacking energy: -348.169
Base-Backbone interact. energy: 0.246
local terms energy: -385.174824
where:
bonds (distance) C4'-P energy: -72.764
bonds (distance) P-C4' energy: -62.322
flat angles C4'-P-C4' energy: -82.708
flat angles P-C4'-P energy: -50.515
tors. eta vs tors. theta energy: -116.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -1091.190480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.190480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.190480 (E_RNA)
where:
Base-Base interactions energy: -737.909
where: short stacking energy: -304.984
Base-Backbone interact. energy: -1.177
local terms energy: -352.104003
where:
bonds (distance) C4'-P energy: -71.114
bonds (distance) P-C4' energy: -64.016
flat angles C4'-P-C4' energy: -68.844
flat angles P-C4'-P energy: -60.274
tors. eta vs tors. theta energy: -87.855
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: 5, replica: 5
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -935.346044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.346044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.346044 (E_RNA)
where:
Base-Base interactions energy: -618.742
where: short stacking energy: -269.630
Base-Backbone interact. energy: -1.739
local terms energy: -314.865756
where:
bonds (distance) C4'-P energy: -64.793
bonds (distance) P-C4' energy: -69.239
flat angles C4'-P-C4' energy: -69.037
flat angles P-C4'-P energy: -42.860
tors. eta vs tors. theta energy: -68.937
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: 3
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -810.753883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.753883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.753883 (E_RNA)
where:
Base-Base interactions energy: -511.832
where: short stacking energy: -240.962
Base-Backbone interact. energy: 1.773
local terms energy: -300.694147
where:
bonds (distance) C4'-P energy: -55.268
bonds (distance) P-C4' energy: -68.470
flat angles C4'-P-C4' energy: -62.139
flat angles P-C4'-P energy: -57.314
tors. eta vs tors. theta energy: -57.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -779.638030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.638030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.638030 (E_RNA)
where:
Base-Base interactions energy: -480.277
where: short stacking energy: -195.825
Base-Backbone interact. energy: -2.299
local terms energy: -297.061164
where:
bonds (distance) C4'-P energy: -74.144
bonds (distance) P-C4' energy: -72.542
flat angles C4'-P-C4' energy: -62.089
flat angles P-C4'-P energy: -41.511
tors. eta vs tors. theta energy: -46.775
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: 6
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -698.732995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.732995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.732995 (E_RNA)
where:
Base-Base interactions energy: -428.660
where: short stacking energy: -195.568
Base-Backbone interact. energy: -1.106
local terms energy: -268.966749
where:
bonds (distance) C4'-P energy: -54.737
bonds (distance) P-C4' energy: -66.560
flat angles C4'-P-C4' energy: -62.815
flat angles P-C4'-P energy: -36.193
tors. eta vs tors. theta energy: -48.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -484.731412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.731412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.731412 (E_RNA)
where:
Base-Base interactions energy: -278.065
where: short stacking energy: -143.948
Base-Backbone interact. energy: 1.171
local terms energy: -207.837204
where:
bonds (distance) C4'-P energy: -63.679
bonds (distance) P-C4' energy: -54.920
flat angles C4'-P-C4' energy: -49.617
flat angles P-C4'-P energy: -23.226
tors. eta vs tors. theta energy: -16.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -450.231984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.231984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.231984 (E_RNA)
where:
Base-Base interactions energy: -219.075
where: short stacking energy: -119.471
Base-Backbone interact. energy: -0.845
local terms energy: -230.312080
where:
bonds (distance) C4'-P energy: -54.413
bonds (distance) P-C4' energy: -58.497
flat angles C4'-P-C4' energy: -62.829
flat angles P-C4'-P energy: -40.335
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: 1, replica: 9
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1323.103284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.103284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.103284 (E_RNA)
where:
Base-Base interactions energy: -906.249
where: short stacking energy: -395.260
Base-Backbone interact. energy: -0.186
local terms energy: -416.668776
where:
bonds (distance) C4'-P energy: -71.499
bonds (distance) P-C4' energy: -68.032
flat angles C4'-P-C4' energy: -88.925
flat angles P-C4'-P energy: -62.899
tors. eta vs tors. theta energy: -125.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1285.384731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.384731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.384731 (E_RNA)
where:
Base-Base interactions energy: -884.116
where: short stacking energy: -379.450
Base-Backbone interact. energy: -1.127
local terms energy: -400.141832
where:
bonds (distance) C4'-P energy: -70.887
bonds (distance) P-C4' energy: -77.007
flat angles C4'-P-C4' energy: -75.337
flat angles P-C4'-P energy: -60.959
tors. eta vs tors. theta energy: -115.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1214.322885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.322885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.322885 (E_RNA)
where:
Base-Base interactions energy: -827.548
where: short stacking energy: -347.657
Base-Backbone interact. energy: -2.448
local terms energy: -384.326157
where:
bonds (distance) C4'-P energy: -68.837
bonds (distance) P-C4' energy: -68.157
flat angles C4'-P-C4' energy: -82.962
flat angles P-C4'-P energy: -57.219
tors. eta vs tors. theta energy: -107.151
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: 7
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -1127.061816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.061816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.061816 (E_RNA)
where:
Base-Base interactions energy: -764.861
where: short stacking energy: -313.646
Base-Backbone interact. energy: -1.502
local terms energy: -360.699117
where:
bonds (distance) C4'-P energy: -56.490
bonds (distance) P-C4' energy: -74.581
flat angles C4'-P-C4' energy: -77.057
flat angles P-C4'-P energy: -56.360
tors. eta vs tors. theta energy: -96.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -957.342471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.342471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.342471 (E_RNA)
where:
Base-Base interactions energy: -615.162
where: short stacking energy: -271.201
Base-Backbone interact. energy: -1.454
local terms energy: -340.726166
where:
bonds (distance) C4'-P energy: -75.267
bonds (distance) P-C4' energy: -64.078
flat angles C4'-P-C4' energy: -75.290
flat angles P-C4'-P energy: -54.207
tors. eta vs tors. theta energy: -71.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -823.975664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.975664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.975664 (E_RNA)
where:
Base-Base interactions energy: -519.585
where: short stacking energy: -248.309
Base-Backbone interact. energy: -0.492
local terms energy: -303.898155
where:
bonds (distance) C4'-P energy: -61.275
bonds (distance) P-C4' energy: -75.576
flat angles C4'-P-C4' energy: -65.791
flat angles P-C4'-P energy: -46.749
tors. eta vs tors. theta energy: -54.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -781.598215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.598215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.598215 (E_RNA)
where:
Base-Base interactions energy: -486.624
where: short stacking energy: -218.902
Base-Backbone interact. energy: 1.869
local terms energy: -296.843100
where:
bonds (distance) C4'-P energy: -71.975
bonds (distance) P-C4' energy: -64.811
flat angles C4'-P-C4' energy: -64.023
flat angles P-C4'-P energy: -42.668
tors. eta vs tors. theta energy: -53.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -698.022620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.022620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.022620 (E_RNA)
where:
Base-Base interactions energy: -436.942
where: short stacking energy: -181.240
Base-Backbone interact. energy: 1.601
local terms energy: -262.681417
where:
bonds (distance) C4'-P energy: -60.020
bonds (distance) P-C4' energy: -71.829
flat angles C4'-P-C4' energy: -60.735
flat angles P-C4'-P energy: -37.851
tors. eta vs tors. theta energy: -32.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -481.933208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.933208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.933208 (E_RNA)
where:
Base-Base interactions energy: -247.257
where: short stacking energy: -137.326
Base-Backbone interact. energy: -0.836
local terms energy: -233.841085
where:
bonds (distance) C4'-P energy: -59.094
bonds (distance) P-C4' energy: -57.935
flat angles C4'-P-C4' energy: -67.792
flat angles P-C4'-P energy: -35.744
tors. eta vs tors. theta energy: -13.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -451.368739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.368739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.368739 (E_RNA)
where:
Base-Base interactions energy: -244.718
where: short stacking energy: -128.461
Base-Backbone interact. energy: 0.107
local terms energy: -206.757757
where:
bonds (distance) C4'-P energy: -62.753
bonds (distance) P-C4' energy: -67.424
flat angles C4'-P-C4' energy: -34.751
flat angles P-C4'-P energy: -31.991
tors. eta vs tors. theta energy: -9.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1321.334897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.334897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.334897 (E_RNA)
where:
Base-Base interactions energy: -902.581
where: short stacking energy: -390.809
Base-Backbone interact. energy: -1.896
local terms energy: -416.858414
where:
bonds (distance) C4'-P energy: -73.833
bonds (distance) P-C4' energy: -75.357
flat angles C4'-P-C4' energy: -83.355
flat angles P-C4'-P energy: -65.394
tors. eta vs tors. theta energy: -118.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1304.154175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.154175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.154175 (E_RNA)
where:
Base-Base interactions energy: -887.336
where: short stacking energy: -370.383
Base-Backbone interact. energy: -0.881
local terms energy: -415.937623
where:
bonds (distance) C4'-P energy: -71.244
bonds (distance) P-C4' energy: -77.408
flat angles C4'-P-C4' energy: -84.922
flat angles P-C4'-P energy: -63.416
tors. eta vs tors. theta energy: -118.948
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: 3, replica: 1
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1191.652168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.652168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.652168 (E_RNA)
where:
Base-Base interactions energy: -815.680
where: short stacking energy: -344.468
Base-Backbone interact. energy: -2.728
local terms energy: -373.244301
where:
bonds (distance) C4'-P energy: -72.274
bonds (distance) P-C4' energy: -59.998
flat angles C4'-P-C4' energy: -82.328
flat angles P-C4'-P energy: -55.341
tors. eta vs tors. theta energy: -103.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -1114.312232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.312232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.312232 (E_RNA)
where:
Base-Base interactions energy: -777.117
where: short stacking energy: -324.550
Base-Backbone interact. energy: -0.751
local terms energy: -336.444567
where:
bonds (distance) C4'-P energy: -64.430
bonds (distance) P-C4' energy: -71.751
flat angles C4'-P-C4' energy: -74.117
flat angles P-C4'-P energy: -40.981
tors. eta vs tors. theta energy: -85.167
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: 5, replica: 5
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -963.185832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.185832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.185832 (E_RNA)
where:
Base-Base interactions energy: -631.652
where: short stacking energy: -302.022
Base-Backbone interact. energy: -0.553
local terms energy: -330.981329
where:
bonds (distance) C4'-P energy: -61.105
bonds (distance) P-C4' energy: -61.478
flat angles C4'-P-C4' energy: -69.925
flat angles P-C4'-P energy: -56.763
tors. eta vs tors. theta energy: -81.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -838.952869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.952869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.952869 (E_RNA)
where:
Base-Base interactions energy: -524.592
where: short stacking energy: -246.456
Base-Backbone interact. energy: -0.601
local terms energy: -313.759798
where:
bonds (distance) C4'-P energy: -60.847
bonds (distance) P-C4' energy: -72.664
flat angles C4'-P-C4' energy: -70.574
flat angles P-C4'-P energy: -46.616
tors. eta vs tors. theta energy: -63.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -810.616167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.616167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.616167 (E_RNA)
where:
Base-Base interactions energy: -513.481
where: short stacking energy: -235.321
Base-Backbone interact. energy: 0.076
local terms energy: -297.211542
where:
bonds (distance) C4'-P energy: -74.319
bonds (distance) P-C4' energy: -62.263
flat angles C4'-P-C4' energy: -68.094
flat angles P-C4'-P energy: -37.963
tors. eta vs tors. theta energy: -54.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -711.045698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.045698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.045698 (E_RNA)
where:
Base-Base interactions energy: -448.888
where: short stacking energy: -212.678
Base-Backbone interact. energy: -0.699
local terms energy: -261.458443
where:
bonds (distance) C4'-P energy: -61.632
bonds (distance) P-C4' energy: -54.729
flat angles C4'-P-C4' energy: -60.697
flat angles P-C4'-P energy: -35.943
tors. eta vs tors. theta energy: -48.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -552.969346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.969346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.969346 (E_RNA)
where:
Base-Base interactions energy: -292.014
where: short stacking energy: -142.148
Base-Backbone interact. energy: -1.723
local terms energy: -259.232659
where:
bonds (distance) C4'-P energy: -67.066
bonds (distance) P-C4' energy: -56.270
flat angles C4'-P-C4' energy: -69.372
flat angles P-C4'-P energy: -45.123
tors. eta vs tors. theta energy: -21.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -435.669864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.669864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.669864 (E_RNA)
where:
Base-Base interactions energy: -250.528
where: short stacking energy: -142.065
Base-Backbone interact. energy: 1.525
local terms energy: -186.666759
where:
bonds (distance) C4'-P energy: -61.677
bonds (distance) P-C4' energy: -41.127
flat angles C4'-P-C4' energy: -51.129
flat angles P-C4'-P energy: -24.712
tors. eta vs tors. theta energy: -8.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1306.441556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.441556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.441556 (E_RNA)
where:
Base-Base interactions energy: -897.858
where: short stacking energy: -397.849
Base-Backbone interact. energy: -0.612
local terms energy: -407.971925
where:
bonds (distance) C4'-P energy: -70.873
bonds (distance) P-C4' energy: -78.281
flat angles C4'-P-C4' energy: -81.967
flat angles P-C4'-P energy: -60.166
tors. eta vs tors. theta energy: -116.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -1268.284202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.284202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.284202 (E_RNA)
where:
Base-Base interactions energy: -851.556
where: short stacking energy: -377.066
Base-Backbone interact. energy: -0.853
local terms energy: -415.875088
where:
bonds (distance) C4'-P energy: -74.638
bonds (distance) P-C4' energy: -68.317
flat angles C4'-P-C4' energy: -89.300
flat angles P-C4'-P energy: -61.788
tors. eta vs tors. theta energy: -121.832
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: 1
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1216.712327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.712327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.712327 (E_RNA)
where:
Base-Base interactions energy: -826.478
where: short stacking energy: -344.543
Base-Backbone interact. energy: -2.049
local terms energy: -388.184594
where:
bonds (distance) C4'-P energy: -61.491
bonds (distance) P-C4' energy: -72.182
flat angles C4'-P-C4' energy: -82.752
flat angles P-C4'-P energy: -62.877
tors. eta vs tors. theta energy: -108.881
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: 4, replica: 7
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -1141.042653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.042653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.042653 (E_RNA)
where:
Base-Base interactions energy: -785.823
where: short stacking energy: -322.577
Base-Backbone interact. energy: 0.368
local terms energy: -355.587384
where:
bonds (distance) C4'-P energy: -62.351
bonds (distance) P-C4' energy: -73.431
flat angles C4'-P-C4' energy: -80.842
flat angles P-C4'-P energy: -50.386
tors. eta vs tors. theta energy: -88.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -1002.378463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.378463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.378463 (E_RNA)
where:
Base-Base interactions energy: -640.529
where: short stacking energy: -280.069
Base-Backbone interact. energy: -1.292
local terms energy: -360.557940
where:
bonds (distance) C4'-P energy: -79.654
bonds (distance) P-C4' energy: -67.243
flat angles C4'-P-C4' energy: -78.856
flat angles P-C4'-P energy: -47.580
tors. eta vs tors. theta energy: -87.225
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: 10
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -806.929355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.929355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.929355 (E_RNA)
where:
Base-Base interactions energy: -514.014
where: short stacking energy: -223.397
Base-Backbone interact. energy: -1.066
local terms energy: -291.848939
where:
bonds (distance) C4'-P energy: -64.181
bonds (distance) P-C4' energy: -73.243
flat angles C4'-P-C4' energy: -74.187
flat angles P-C4'-P energy: -34.643
tors. eta vs tors. theta energy: -45.595
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: 3
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -792.809261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.809261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.809261 (E_RNA)
where:
Base-Base interactions energy: -511.610
where: short stacking energy: -242.731
Base-Backbone interact. energy: 0.199
local terms energy: -281.398792
where:
bonds (distance) C4'-P energy: -63.128
bonds (distance) P-C4' energy: -56.150
flat angles C4'-P-C4' energy: -61.570
flat angles P-C4'-P energy: -42.487
tors. eta vs tors. theta energy: -58.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -697.362050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.362050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.362050 (E_RNA)
where:
Base-Base interactions energy: -396.364
where: short stacking energy: -191.854
Base-Backbone interact. energy: -0.594
local terms energy: -300.403979
where:
bonds (distance) C4'-P energy: -67.558
bonds (distance) P-C4' energy: -70.458
flat angles C4'-P-C4' energy: -66.451
flat angles P-C4'-P energy: -47.693
tors. eta vs tors. theta energy: -48.244
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: 8
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -488.442770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.442770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.442770 (E_RNA)
where:
Base-Base interactions energy: -266.922
where: short stacking energy: -125.751
Base-Backbone interact. energy: 0.265
local terms energy: -221.785973
where:
bonds (distance) C4'-P energy: -54.959
bonds (distance) P-C4' energy: -71.808
flat angles C4'-P-C4' energy: -62.392
flat angles P-C4'-P energy: -22.570
tors. eta vs tors. theta energy: -10.057
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: 4
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -424.335393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.335393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.335393 (E_RNA)
where:
Base-Base interactions energy: -217.161
where: short stacking energy: -113.337
Base-Backbone interact. energy: 0.277
local terms energy: -207.451445
where:
bonds (distance) C4'-P energy: -57.067
bonds (distance) P-C4' energy: -71.599
flat angles C4'-P-C4' energy: -57.018
flat angles P-C4'-P energy: -29.469
tors. eta vs tors. theta energy: 7.702
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: 1, replica: 2
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1289.439065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.439065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.439065 (E_RNA)
where:
Base-Base interactions energy: -884.499
where: short stacking energy: -379.117
Base-Backbone interact. energy: -2.546
local terms energy: -402.394424
where:
bonds (distance) C4'-P energy: -73.209
bonds (distance) P-C4' energy: -65.292
flat angles C4'-P-C4' energy: -89.992
flat angles P-C4'-P energy: -58.284
tors. eta vs tors. theta energy: -115.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1279.797990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.797990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.797990 (E_RNA)
where:
Base-Base interactions energy: -878.400
where: short stacking energy: -387.490
Base-Backbone interact. energy: 0.331
local terms energy: -401.729159
where:
bonds (distance) C4'-P energy: -70.460
bonds (distance) P-C4' energy: -69.762
flat angles C4'-P-C4' energy: -87.676
flat angles P-C4'-P energy: -52.740
tors. eta vs tors. theta energy: -121.092
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: 1
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -1223.992755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.992755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.992755 (E_RNA)
where:
Base-Base interactions energy: -836.679
where: short stacking energy: -358.301
Base-Backbone interact. energy: -3.558
local terms energy: -383.755908
where:
bonds (distance) C4'-P energy: -65.330
bonds (distance) P-C4' energy: -69.586
flat angles C4'-P-C4' energy: -83.577
flat angles P-C4'-P energy: -52.911
tors. eta vs tors. theta energy: -112.353
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: 7
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -1099.455988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.455988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.455988 (E_RNA)
where:
Base-Base interactions energy: -765.533
where: short stacking energy: -306.297
Base-Backbone interact. energy: -0.692
local terms energy: -333.231159
where:
bonds (distance) C4'-P energy: -51.189
bonds (distance) P-C4' energy: -71.476
flat angles C4'-P-C4' energy: -74.902
flat angles P-C4'-P energy: -35.029
tors. eta vs tors. theta energy: -100.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -979.730564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.730564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.730564 (E_RNA)
where:
Base-Base interactions energy: -650.463
where: short stacking energy: -293.500
Base-Backbone interact. energy: -1.295
local terms energy: -327.973042
where:
bonds (distance) C4'-P energy: -62.976
bonds (distance) P-C4' energy: -72.223
flat angles C4'-P-C4' energy: -58.860
flat angles P-C4'-P energy: -51.586
tors. eta vs tors. theta energy: -82.329
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: 476
Temperature: 1.150000
Total energy: -829.569118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.569118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.569118 (E_RNA)
where:
Base-Base interactions energy: -542.201
where: short stacking energy: -227.851
Base-Backbone interact. energy: -1.184
local terms energy: -286.184286
where:
bonds (distance) C4'-P energy: -48.473
bonds (distance) P-C4' energy: -68.654
flat angles C4'-P-C4' energy: -75.193
flat angles P-C4'-P energy: -40.527
tors. eta vs tors. theta energy: -53.337
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: 3
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -789.307985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.307985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.307985 (E_RNA)
where:
Base-Base interactions energy: -484.847
where: short stacking energy: -228.954
Base-Backbone interact. energy: -0.807
local terms energy: -303.654093
where:
bonds (distance) C4'-P energy: -57.989
bonds (distance) P-C4' energy: -75.217
flat angles C4'-P-C4' energy: -76.191
flat angles P-C4'-P energy: -39.175
tors. eta vs tors. theta energy: -55.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -680.178547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.178547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.178547 (E_RNA)
where:
Base-Base interactions energy: -410.035
where: short stacking energy: -190.650
Base-Backbone interact. energy: -0.171
local terms energy: -269.971812
where:
bonds (distance) C4'-P energy: -54.209
bonds (distance) P-C4' energy: -62.588
flat angles C4'-P-C4' energy: -77.628
flat angles P-C4'-P energy: -38.142
tors. eta vs tors. theta energy: -37.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -471.976933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.976933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.976933 (E_RNA)
where:
Base-Base interactions energy: -253.855
where: short stacking energy: -140.665
Base-Backbone interact. energy: 0.568
local terms energy: -218.689568
where:
bonds (distance) C4'-P energy: -61.054
bonds (distance) P-C4' energy: -65.613
flat angles C4'-P-C4' energy: -46.139
flat angles P-C4'-P energy: -39.673
tors. eta vs tors. theta energy: -6.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -458.239686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.239686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.239686 (E_RNA)
where:
Base-Base interactions energy: -232.454
where: short stacking energy: -135.989
Base-Backbone interact. energy: 0.461
local terms energy: -226.247148
where:
bonds (distance) C4'-P energy: -66.501
bonds (distance) P-C4' energy: -59.581
flat angles C4'-P-C4' energy: -56.291
flat angles P-C4'-P energy: -33.037
tors. eta vs tors. theta energy: -10.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1301.914294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.914294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.914294 (E_RNA)
where:
Base-Base interactions energy: -888.123
where: short stacking energy: -394.947
Base-Backbone interact. energy: 3.791
local terms energy: -417.583028
where:
bonds (distance) C4'-P energy: -73.784
bonds (distance) P-C4' energy: -79.158
flat angles C4'-P-C4' energy: -80.934
flat angles P-C4'-P energy: -60.165
tors. eta vs tors. theta energy: -123.542
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: 9
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1265.841190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.841190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.841190 (E_RNA)
where:
Base-Base interactions energy: -862.773
where: short stacking energy: -390.290
Base-Backbone interact. energy: 0.220
local terms energy: -403.288684
where:
bonds (distance) C4'-P energy: -73.234
bonds (distance) P-C4' energy: -73.758
flat angles C4'-P-C4' energy: -84.643
flat angles P-C4'-P energy: -52.766
tors. eta vs tors. theta energy: -118.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1225.877084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.877084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.877084 (E_RNA)
where:
Base-Base interactions energy: -855.313
where: short stacking energy: -359.719
Base-Backbone interact. energy: -3.491
local terms energy: -367.073281
where:
bonds (distance) C4'-P energy: -68.875
bonds (distance) P-C4' energy: -74.837
flat angles C4'-P-C4' energy: -66.059
flat angles P-C4'-P energy: -44.084
tors. eta vs tors. theta energy: -113.218
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: 477
Temperature: 1.050000
Total energy: -1015.083397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.083397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.083397 (E_RNA)
where:
Base-Base interactions energy: -662.961
where: short stacking energy: -311.630
Base-Backbone interact. energy: -0.836
local terms energy: -351.286131
where:
bonds (distance) C4'-P energy: -60.963
bonds (distance) P-C4' energy: -68.212
flat angles C4'-P-C4' energy: -83.468
flat angles P-C4'-P energy: -40.988
tors. eta vs tors. theta energy: -97.655
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: 5, replica: 7
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -1069.643529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.643529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.643529 (E_RNA)
where:
Base-Base interactions energy: -742.266
where: short stacking energy: -299.208
Base-Backbone interact. energy: -0.548
local terms energy: -326.829857
where:
bonds (distance) C4'-P energy: -63.744
bonds (distance) P-C4' energy: -63.404
flat angles C4'-P-C4' energy: -73.815
flat angles P-C4'-P energy: -49.150
tors. eta vs tors. theta energy: -76.717
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: 6, replica: 10
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -868.052905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.052905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.052905 (E_RNA)
where:
Base-Base interactions energy: -559.285
where: short stacking energy: -236.212
Base-Backbone interact. energy: -0.521
local terms energy: -308.246759
where:
bonds (distance) C4'-P energy: -65.198
bonds (distance) P-C4' energy: -60.193
flat angles C4'-P-C4' energy: -69.648
flat angles P-C4'-P energy: -51.911
tors. eta vs tors. theta energy: -61.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -725.234727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.234727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.234727 (E_RNA)
where:
Base-Base interactions energy: -440.934
where: short stacking energy: -211.524
Base-Backbone interact. energy: -0.387
local terms energy: -283.913575
where:
bonds (distance) C4'-P energy: -71.518
bonds (distance) P-C4' energy: -63.264
flat angles C4'-P-C4' energy: -55.083
flat angles P-C4'-P energy: -36.660
tors. eta vs tors. theta energy: -57.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -664.619633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.619633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.619633 (E_RNA)
where:
Base-Base interactions energy: -417.784
where: short stacking energy: -178.028
Base-Backbone interact. energy: -0.131
local terms energy: -246.704560
where:
bonds (distance) C4'-P energy: -57.101
bonds (distance) P-C4' energy: -66.770
flat angles C4'-P-C4' energy: -64.108
flat angles P-C4'-P energy: -37.374
tors. eta vs tors. theta energy: -21.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -439.493516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.493516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.493516 (E_RNA)
where:
Base-Base interactions energy: -233.112
where: short stacking energy: -127.298
Base-Backbone interact. energy: 4.638
local terms energy: -211.020010
where:
bonds (distance) C4'-P energy: -61.328
bonds (distance) P-C4' energy: -59.203
flat angles C4'-P-C4' energy: -61.454
flat angles P-C4'-P energy: -24.142
tors. eta vs tors. theta energy: -4.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -476.274591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.274591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.274591 (E_RNA)
where:
Base-Base interactions energy: -236.846
where: short stacking energy: -102.240
Base-Backbone interact. energy: -0.168
local terms energy: -239.260404
where:
bonds (distance) C4'-P energy: -69.171
bonds (distance) P-C4' energy: -71.914
flat angles C4'-P-C4' energy: -68.605
flat angles P-C4'-P energy: -29.399
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: 1, replica: 2
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1307.967233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.967233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.967233 (E_RNA)
where:
Base-Base interactions energy: -884.764
where: short stacking energy: -385.553
Base-Backbone interact. energy: -0.831
local terms energy: -422.372512
where:
bonds (distance) C4'-P energy: -71.646
bonds (distance) P-C4' energy: -74.540
flat angles C4'-P-C4' energy: -86.824
flat angles P-C4'-P energy: -66.262
tors. eta vs tors. theta energy: -123.102
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: 478
Temperature: 0.950000
Total energy: -1262.202524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.202524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.202524 (E_RNA)
where:
Base-Base interactions energy: -859.317
where: short stacking energy: -370.271
Base-Backbone interact. energy: -0.794
local terms energy: -402.090822
where:
bonds (distance) C4'-P energy: -77.191
bonds (distance) P-C4' energy: -78.427
flat angles C4'-P-C4' energy: -77.173
flat angles P-C4'-P energy: -59.624
tors. eta vs tors. theta energy: -109.676
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: 3, replica: 1
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -1220.308905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.308905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.308905 (E_RNA)
where:
Base-Base interactions energy: -841.710
where: short stacking energy: -344.882
Base-Backbone interact. energy: -2.235
local terms energy: -376.364284
where:
bonds (distance) C4'-P energy: -71.467
bonds (distance) P-C4' energy: -67.064
flat angles C4'-P-C4' energy: -88.011
flat angles P-C4'-P energy: -48.180
tors. eta vs tors. theta energy: -101.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -1045.264662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.264662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.264662 (E_RNA)
where:
Base-Base interactions energy: -694.845
where: short stacking energy: -312.485
Base-Backbone interact. energy: -2.703
local terms energy: -347.716522
where:
bonds (distance) C4'-P energy: -59.015
bonds (distance) P-C4' energy: -72.338
flat angles C4'-P-C4' energy: -75.361
flat angles P-C4'-P energy: -55.005
tors. eta vs tors. theta energy: -85.998
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: 7
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -1071.614858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.614858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.614858 (E_RNA)
where:
Base-Base interactions energy: -725.979
where: short stacking energy: -289.098
Base-Backbone interact. energy: -0.634
local terms energy: -345.001599
where:
bonds (distance) C4'-P energy: -75.238
bonds (distance) P-C4' energy: -70.014
flat angles C4'-P-C4' energy: -72.830
flat angles P-C4'-P energy: -54.982
tors. eta vs tors. theta energy: -71.937
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: 10
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -848.722127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.722127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.722127 (E_RNA)
where:
Base-Base interactions energy: -548.024
where: short stacking energy: -245.790
Base-Backbone interact. energy: 6.939
local terms energy: -307.636655
where:
bonds (distance) C4'-P energy: -62.915
bonds (distance) P-C4' energy: -72.082
flat angles C4'-P-C4' energy: -74.188
flat angles P-C4'-P energy: -37.729
tors. eta vs tors. theta energy: -60.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -750.699874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.699874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.699874 (E_RNA)
where:
Base-Base interactions energy: -452.330
where: short stacking energy: -205.552
Base-Backbone interact. energy: 0.570
local terms energy: -298.939911
where:
bonds (distance) C4'-P energy: -65.647
bonds (distance) P-C4' energy: -70.742
flat angles C4'-P-C4' energy: -72.807
flat angles P-C4'-P energy: -49.972
tors. eta vs tors. theta energy: -39.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -566.374035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.374035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.374035 (E_RNA)
where:
Base-Base interactions energy: -334.033
where: short stacking energy: -167.696
Base-Backbone interact. energy: -0.365
local terms energy: -231.976018
where:
bonds (distance) C4'-P energy: -55.316
bonds (distance) P-C4' energy: -62.988
flat angles C4'-P-C4' energy: -53.955
flat angles P-C4'-P energy: -25.409
tors. eta vs tors. theta energy: -34.308
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: 8
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -545.449003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.449003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.449003 (E_RNA)
where:
Base-Base interactions energy: -306.586
where: short stacking energy: -149.093
Base-Backbone interact. energy: -0.820
local terms energy: -238.043474
where:
bonds (distance) C4'-P energy: -56.735
bonds (distance) P-C4' energy: -63.127
flat angles C4'-P-C4' energy: -59.896
flat angles P-C4'-P energy: -31.714
tors. eta vs tors. theta energy: -26.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -427.965466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.965466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.965466 (E_RNA)
where:
Base-Base interactions energy: -235.210
where: short stacking energy: -109.648
Base-Backbone interact. energy: 1.384
local terms energy: -194.139571
where:
bonds (distance) C4'-P energy: -58.765
bonds (distance) P-C4' energy: -49.747
flat angles C4'-P-C4' energy: -55.360
flat angles P-C4'-P energy: -34.495
tors. eta vs tors. theta energy: 4.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1308.517814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.517814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.517814 (E_RNA)
where:
Base-Base interactions energy: -896.145
where: short stacking energy: -388.244
Base-Backbone interact. energy: -1.073
local terms energy: -411.299778
where:
bonds (distance) C4'-P energy: -73.919
bonds (distance) P-C4' energy: -77.807
flat angles C4'-P-C4' energy: -80.595
flat angles P-C4'-P energy: -55.599
tors. eta vs tors. theta energy: -123.380
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: 2, replica: 9
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1271.979895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.979895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.979895 (E_RNA)
where:
Base-Base interactions energy: -874.192
where: short stacking energy: -375.310
Base-Backbone interact. energy: -1.304
local terms energy: -396.483766
where:
bonds (distance) C4'-P energy: -60.421
bonds (distance) P-C4' energy: -71.726
flat angles C4'-P-C4' energy: -84.888
flat angles P-C4'-P energy: -58.861
tors. eta vs tors. theta energy: -120.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -1197.437388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.437388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.437388 (E_RNA)
where:
Base-Base interactions energy: -809.830
where: short stacking energy: -331.324
Base-Backbone interact. energy: -3.172
local terms energy: -384.434660
where:
bonds (distance) C4'-P energy: -71.323
bonds (distance) P-C4' energy: -72.617
flat angles C4'-P-C4' energy: -81.951
flat angles P-C4'-P energy: -49.083
tors. eta vs tors. theta energy: -109.460
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: 4, replica: 7
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -1099.794924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.794924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.794924 (E_RNA)
where:
Base-Base interactions energy: -745.571
where: short stacking energy: -308.818
Base-Backbone interact. energy: 0.392
local terms energy: -354.616049
where:
bonds (distance) C4'-P energy: -68.639
bonds (distance) P-C4' energy: -62.658
flat angles C4'-P-C4' energy: -76.550
flat angles P-C4'-P energy: -57.559
tors. eta vs tors. theta energy: -89.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -1031.480219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.480219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.480219 (E_RNA)
where:
Base-Base interactions energy: -690.453
where: short stacking energy: -288.062
Base-Backbone interact. energy: -0.862
local terms energy: -340.164736
where:
bonds (distance) C4'-P energy: -62.238
bonds (distance) P-C4' energy: -64.933
flat angles C4'-P-C4' energy: -70.545
flat angles P-C4'-P energy: -52.940
tors. eta vs tors. theta energy: -89.509
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: 6, replica: 10
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -825.329094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.329094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.329094 (E_RNA)
where:
Base-Base interactions energy: -514.296
where: short stacking energy: -225.296
Base-Backbone interact. energy: -0.214
local terms energy: -310.819078
where:
bonds (distance) C4'-P energy: -75.796
bonds (distance) P-C4' energy: -71.561
flat angles C4'-P-C4' energy: -60.918
flat angles P-C4'-P energy: -47.913
tors. eta vs tors. theta energy: -54.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -741.683356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.683356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.683356 (E_RNA)
where:
Base-Base interactions energy: -449.117
where: short stacking energy: -210.640
Base-Backbone interact. energy: -0.404
local terms energy: -292.162957
where:
bonds (distance) C4'-P energy: -57.667
bonds (distance) P-C4' energy: -79.106
flat angles C4'-P-C4' energy: -65.015
flat angles P-C4'-P energy: -45.480
tors. eta vs tors. theta energy: -44.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -595.198829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.198829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.198829 (E_RNA)
where:
Base-Base interactions energy: -336.332
where: short stacking energy: -178.491
Base-Backbone interact. energy: 0.921
local terms energy: -259.788281
where:
bonds (distance) C4'-P energy: -49.478
bonds (distance) P-C4' energy: -74.445
flat angles C4'-P-C4' energy: -58.946
flat angles P-C4'-P energy: -41.332
tors. eta vs tors. theta energy: -35.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -472.192586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.192586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.192586 (E_RNA)
where:
Base-Base interactions energy: -245.447
where: short stacking energy: -116.019
Base-Backbone interact. energy: 2.444
local terms energy: -229.189612
where:
bonds (distance) C4'-P energy: -78.191
bonds (distance) P-C4' energy: -59.439
flat angles C4'-P-C4' energy: -61.223
flat angles P-C4'-P energy: -29.216
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: 10, replica: 4
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -458.440121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.440121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.440121 (E_RNA)
where:
Base-Base interactions energy: -231.417
where: short stacking energy: -119.098
Base-Backbone interact. energy: 3.256
local terms energy: -230.278654
where:
bonds (distance) C4'-P energy: -55.295
bonds (distance) P-C4' energy: -67.463
flat angles C4'-P-C4' energy: -59.867
flat angles P-C4'-P energy: -34.360
tors. eta vs tors. theta energy: -13.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -1320.327021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.327021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.327021 (E_RNA)
where:
Base-Base interactions energy: -900.757
where: short stacking energy: -391.871
Base-Backbone interact. energy: -0.944
local terms energy: -418.625796
where:
bonds (distance) C4'-P energy: -66.387
bonds (distance) P-C4' energy: -72.986
flat angles C4'-P-C4' energy: -88.350
flat angles P-C4'-P energy: -65.972
tors. eta vs tors. theta energy: -124.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1272.878852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.878852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.878852 (E_RNA)
where:
Base-Base interactions energy: -871.596
where: short stacking energy: -374.577
Base-Backbone interact. energy: -0.780
local terms energy: -400.502778
where:
bonds (distance) C4'-P energy: -71.285
bonds (distance) P-C4' energy: -62.629
flat angles C4'-P-C4' energy: -86.588
flat angles P-C4'-P energy: -59.523
tors. eta vs tors. theta energy: -120.478
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: 1
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1175.748578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.748578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.748578 (E_RNA)
where:
Base-Base interactions energy: -802.504
where: short stacking energy: -334.923
Base-Backbone interact. energy: -2.703
local terms energy: -370.541889
where:
bonds (distance) C4'-P energy: -69.285
bonds (distance) P-C4' energy: -69.223
flat angles C4'-P-C4' energy: -77.863
flat angles P-C4'-P energy: -56.419
tors. eta vs tors. theta energy: -97.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -1101.334244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.334244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.334244 (E_RNA)
where:
Base-Base interactions energy: -737.854
where: short stacking energy: -310.362
Base-Backbone interact. energy: -2.565
local terms energy: -360.915391
where:
bonds (distance) C4'-P energy: -81.241
bonds (distance) P-C4' energy: -63.375
flat angles C4'-P-C4' energy: -79.822
flat angles P-C4'-P energy: -42.924
tors. eta vs tors. theta energy: -93.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -994.109313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.109313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.109313 (E_RNA)
where:
Base-Base interactions energy: -656.391
where: short stacking energy: -279.664
Base-Backbone interact. energy: -2.326
local terms energy: -335.392548
where:
bonds (distance) C4'-P energy: -64.598
bonds (distance) P-C4' energy: -70.090
flat angles C4'-P-C4' energy: -79.903
flat angles P-C4'-P energy: -44.759
tors. eta vs tors. theta energy: -76.043
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: 10
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -828.405634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.405634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.405634 (E_RNA)
where:
Base-Base interactions energy: -522.355
where: short stacking energy: -222.712
Base-Backbone interact. energy: -2.717
local terms energy: -303.333350
where:
bonds (distance) C4'-P energy: -59.928
bonds (distance) P-C4' energy: -72.070
flat angles C4'-P-C4' energy: -63.678
flat angles P-C4'-P energy: -58.155
tors. eta vs tors. theta energy: -49.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -764.242398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.242398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.242398 (E_RNA)
where:
Base-Base interactions energy: -476.662
where: short stacking energy: -229.303
Base-Backbone interact. energy: -0.213
local terms energy: -287.367067
where:
bonds (distance) C4'-P energy: -59.212
bonds (distance) P-C4' energy: -62.196
flat angles C4'-P-C4' energy: -70.158
flat angles P-C4'-P energy: -40.051
tors. eta vs tors. theta energy: -55.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -587.446730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.446730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.446730 (E_RNA)
where:
Base-Base interactions energy: -323.048
where: short stacking energy: -146.313
Base-Backbone interact. energy: 0.699
local terms energy: -265.097839
where:
bonds (distance) C4'-P energy: -57.432
bonds (distance) P-C4' energy: -70.737
flat angles C4'-P-C4' energy: -66.223
flat angles P-C4'-P energy: -41.442
tors. eta vs tors. theta energy: -29.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -473.809109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.809109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.809109 (E_RNA)
where:
Base-Base interactions energy: -236.542
where: short stacking energy: -141.349
Base-Backbone interact. energy: 0.322
local terms energy: -237.588911
where:
bonds (distance) C4'-P energy: -57.543
bonds (distance) P-C4' energy: -61.425
flat angles C4'-P-C4' energy: -57.795
flat angles P-C4'-P energy: -38.887
tors. eta vs tors. theta energy: -21.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -443.306484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.306484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.306484 (E_RNA)
where:
Base-Base interactions energy: -228.071
where: short stacking energy: -119.396
Base-Backbone interact. energy: 0.695
local terms energy: -215.930452
where:
bonds (distance) C4'-P energy: -65.951
bonds (distance) P-C4' energy: -59.714
flat angles C4'-P-C4' energy: -56.570
flat angles P-C4'-P energy: -28.218
tors. eta vs tors. theta energy: -5.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1311.760517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.760517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.760517 (E_RNA)
where:
Base-Base interactions energy: -895.721
where: short stacking energy: -400.917
Base-Backbone interact. energy: -1.048
local terms energy: -414.991036
where:
bonds (distance) C4'-P energy: -72.124
bonds (distance) P-C4' energy: -72.838
flat angles C4'-P-C4' energy: -84.708
flat angles P-C4'-P energy: -60.870
tors. eta vs tors. theta energy: -124.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1269.175813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.175813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.175813 (E_RNA)
where:
Base-Base interactions energy: -857.846
where: short stacking energy: -386.591
Base-Backbone interact. energy: -1.156
local terms energy: -410.173828
where:
bonds (distance) C4'-P energy: -66.077
bonds (distance) P-C4' energy: -73.330
flat angles C4'-P-C4' energy: -87.352
flat angles P-C4'-P energy: -58.882
tors. eta vs tors. theta energy: -124.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -1203.058922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.058922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.058922 (E_RNA)
where:
Base-Base interactions energy: -808.816
where: short stacking energy: -365.197
Base-Backbone interact. energy: -2.858
local terms energy: -391.384351
where:
bonds (distance) C4'-P energy: -70.604
bonds (distance) P-C4' energy: -70.260
flat angles C4'-P-C4' energy: -79.076
flat angles P-C4'-P energy: -55.712
tors. eta vs tors. theta energy: -115.732
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: 481
Temperature: 1.050000
Total energy: -1116.813610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.813610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.813610 (E_RNA)
where:
Base-Base interactions energy: -758.661
where: short stacking energy: -325.790
Base-Backbone interact. energy: -1.748
local terms energy: -356.404332
where:
bonds (distance) C4'-P energy: -67.135
bonds (distance) P-C4' energy: -67.246
flat angles C4'-P-C4' energy: -82.085
flat angles P-C4'-P energy: -47.988
tors. eta vs tors. theta energy: -91.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -963.474840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.474840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.474840 (E_RNA)
where:
Base-Base interactions energy: -621.734
where: short stacking energy: -265.585
Base-Backbone interact. energy: -0.385
local terms energy: -341.355363
where:
bonds (distance) C4'-P energy: -60.745
bonds (distance) P-C4' energy: -65.811
flat angles C4'-P-C4' energy: -78.872
flat angles P-C4'-P energy: -53.296
tors. eta vs tors. theta energy: -82.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -819.863283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.863283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.863283 (E_RNA)
where:
Base-Base interactions energy: -532.638
where: short stacking energy: -239.919
Base-Backbone interact. energy: 0.245
local terms energy: -287.471110
where:
bonds (distance) C4'-P energy: -61.138
bonds (distance) P-C4' energy: -66.193
flat angles C4'-P-C4' energy: -70.806
flat angles P-C4'-P energy: -34.549
tors. eta vs tors. theta energy: -54.785
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: 3
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -744.503436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.503436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.503436 (E_RNA)
where:
Base-Base interactions energy: -476.760
where: short stacking energy: -218.694
Base-Backbone interact. energy: 0.826
local terms energy: -268.568856
where:
bonds (distance) C4'-P energy: -60.162
bonds (distance) P-C4' energy: -60.600
flat angles C4'-P-C4' energy: -58.416
flat angles P-C4'-P energy: -36.672
tors. eta vs tors. theta energy: -52.719
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: 6
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -597.131553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.131553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.131553 (E_RNA)
where:
Base-Base interactions energy: -329.675
where: short stacking energy: -156.741
Base-Backbone interact. energy: 2.564
local terms energy: -270.020135
where:
bonds (distance) C4'-P energy: -67.322
bonds (distance) P-C4' energy: -66.119
flat angles C4'-P-C4' energy: -71.641
flat angles P-C4'-P energy: -41.330
tors. eta vs tors. theta energy: -23.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -492.320380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.320380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.320380 (E_RNA)
where:
Base-Base interactions energy: -258.276
where: short stacking energy: -137.942
Base-Backbone interact. energy: 2.635
local terms energy: -236.679534
where:
bonds (distance) C4'-P energy: -59.052
bonds (distance) P-C4' energy: -77.883
flat angles C4'-P-C4' energy: -48.286
flat angles P-C4'-P energy: -32.868
tors. eta vs tors. theta energy: -18.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -457.074032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.074032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.074032 (E_RNA)
where:
Base-Base interactions energy: -243.345
where: short stacking energy: -135.484
Base-Backbone interact. energy: -0.512
local terms energy: -213.217445
where:
bonds (distance) C4'-P energy: -69.212
bonds (distance) P-C4' energy: -67.515
flat angles C4'-P-C4' energy: -48.083
flat angles P-C4'-P energy: -22.242
tors. eta vs tors. theta energy: -6.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)